Andrea PELUSO | Publications

360984Toward Efficient Modeling of Nonradiative Decay in Extended INVEST: Overcoming Computational Challenges in Quantum Dynamics Simulations

	2024
	Articolo in rivista
	Toward Efficient Modeling of Nonradiative Decay in Extended INVEST: Overcoming Computational Challenges in Quantum Dynamics Simulations THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS. Vol. 15. Pag.11042-11050 ISSN:1948-7185.
	Landi, Alessandro; Ricci, Gaetano; Olivier, Yoann; Capobianco, Amedeo; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1021/acs.jpclett.4c02713 Codice identificativo ISI: WOS:001346713400001 Codice identificativo SCOPUS: 2-s2.0-85208224208
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338918Electron Localization and Mobility in Monolayer Fullerene Networks

	2024
	Articolo in rivista
	Electron Localization and Mobility in Monolayer Fullerene Networks NANO LETTERS. Vol. 24. Pag.8335-8342 ISSN:1530-6984.
	Capobianco, Amedeo; Wiktor, Julia; Landi, Alessandro; Ambrosio, Francesco; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1021/acs.nanolett.4c01695 Codice identificativo ISI: WOS:001227991200001 Codice identificativo SCOPUS: 2-s2.0-85193970162
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317469Fast Nonradiative Decay Paths in Organic Solar Cells: Implications for Designing More Efficient Photovoltaic Systems

	2024
	Articolo in rivista
	Fast Nonradiative Decay Paths in Organic Solar Cells: Implications for Designing More Efficient Photovoltaic Systems ACS APPLIED ENERGY MATERIALS. Vol. 7. Pag.707-714 ISSN:2574-0962.
	Landi, Alessandro; Padula, Daniele; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1021/acsaem.3c02790 Codice identificativo ISI: WOS:001146743900001 Codice identificativo SCOPUS: 2-s2.0-85181827145
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359386Elementary processes in ternary solar cells

	2024
	Articolo in rivista
	Elementary processes in ternary solar cells MATERIALS CHEMISTRY FRONTIERS. Pag.215-219 ISSN:2052-1537.
	Pizza, T; Landi, A; Ambrosio, F; Capobianco, A; Peluso, A
	Digital Object Identifier (DOI): 10.1039/d4qm00714j Codice identificativo ISI: WOS:001330721300001 Codice identificativo SCOPUS: 2-s2.0-85206494819
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359665Quantum Chemical Insights into DNA Nucleobase Oxidation: Bridging Theory and Experiment

	2024
	Articolo in rivista
	Quantum Chemical Insights into DNA Nucleobase Oxidation: Bridging Theory and Experiment JOURNAL OF CHEMICAL THEORY AND COMPUTATION. Pag.23-34 ISSN:1549-9618.
	Ambrosio, Francesco; Landi, Alessandro; Peluso, Andrea; Capobianco, Amedeo
	Versione online
	Digital Object Identifier (DOI): 10.1021/acs.jctc.4c01045 Codice identificativo SCOPUS: 2-s2.0-85207240149
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338879The rates of non-adiabatic processes in large molecular systems: Toward an effective full-dimensional quantum mechanical approach

	2024
	Articolo in rivista
	The rates of non-adiabatic processes in large molecular systems: Toward an effective full-dimensional quantum mechanical approach THE JOURNAL OF CHEMICAL PHYSICS. Vol. 160. Pag.174114-1-174114-10 ISSN:0021-9606.
	Landi, Alessandro; Landi, Andrea; Leo, Anna; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1063/5.0200345 Codice identificativo ISI: WOS:001221079800002 Codice identificativo SCOPUS: 2-s2.0-85192682677
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338898Asymmetrical Diketopyrrolopyrrole Derivatives with Improved Solubility and Balanced Charge Transport Properties

	2024
	Articolo in rivista
	Asymmetrical Diketopyrrolopyrrole Derivatives with Improved Solubility and Balanced Charge Transport Properties MOLECULES. Vol. 29. Pag.2805-1-2805-17 ISSN:1420-3049.
	Carella, Antonio; Landi, Alessandro; Bonomo, Matteo; Chiarella, Fabio; Centore, Roberto; Peluso, Andrea; Nejrotti, Stefano; Barra, Mario
	Digital Object Identifier (DOI): 10.3390/molecules29122805 Codice identificativo ISI: WOS:001256211100001 Codice identificativo SCOPUS: 2-s2.0-85197107740
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338958In-silico prediction of the organic solar cells’ performances

	2024
	Contributo in Atti di convegno
	In-silico prediction of the organic solar cells’ performances. In: CHITEL 2024 Congress of Theoretical Chemists of Latin Expression Book of Abstracts with scientific program Pag.88-88
	CHITEL 2024 Congress of Theoretical Chemists of Latin Expression Namur (Belgio) 30/06/2024 - 05/07/2024
	Landi, Alessandro; Padula, Daniele; Peluso, Andrea
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317468Towards Effective Full-Dimensional Quantum Dynamics: Predicting the Non-Adiabatic Transition Rates in Azulene

	2024
	Contributo in Atti di convegno
	Towards Effective Full-Dimensional Quantum Dynamics: Predicting the Non-Adiabatic Transition Rates in Azulene. In: 14th Symposium on Computing π-Conjugated Compounds - 8th and 9th of February 2024 Donostia, Spain Pag.49-49
	14th Symposium on Computing π-Conjugated Compounds Donostia (Spain) 08/02/2024-09/02/2024
	Landi, Alessandro; Peluso, Andrea
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262145Sol-Gel Dipping Devices for H2S Visualization

	2023
	Articolo in rivista
	Sol-Gel Dipping Devices for H2S Visualization SENSORS. Vol. 23. Pag.2023-2036 ISSN:1424-8220.
	Strianese, Maria; Ferrara, Giovanni; Vykhovanets, Viktoriia; Blal, Naym; Guarnieri, Daniela; Landi, Alessandro; Lamberti, Marina; Peluso, Andrea; Pellecchia, Claudio
	Digital Object Identifier (DOI): 10.3390/s23042023 Codice identificativo ISI: WOS:000941790600001 Codice identificativo SCOPUS: 2-s2.0-85148975090
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259919Salen, salan and salalen zinc(II) complexes in the interaction with HS-: time-resolved fluorescence applications

	2023
	Articolo in rivista
	Salen, salan and salalen zinc(II) complexes in the interaction with HS-: time-resolved fluorescence applications DALTON TRANSACTIONS. Vol. 52. Pag.1357-1365 ISSN:1477-9226.
	Strianese, Maria; D'Auria, Gerard Joseph; Lamberti, Marina; Landi, Alessandro; Peluso, Andrea; Varriale, Antonio; D'Auria, Sabato; Pellecchia, Claudio
	Digital Object Identifier (DOI): 10.1039/d2dt03730k Codice identificativo ISI: WOS:000912369900001 Codice identificativo SCOPUS: 2-s2.0-85146261827
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264095Is a thin mechanism appropriate for aromatic nitration?

	2023
	Articolo in rivista
	Is a thin mechanism appropriate for aromatic nitration? PHYSICAL CHEMISTRY CHEMICAL PHYSICS. Vol. 25. Pag.2359-2365 ISSN:1463-9076.
	Ambrosio, Francesco; Capobianco, Amedeo; Landi, Alessandro; Pizza, Teodoro; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1039/d2cp05176a Codice identificativo ISI: WOS:000907284800001 Codice identificativo SCOPUS: 2-s2.0-85146277739
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252798High N‐H Photoacidity of a Nitrogen‐Rich Fused Ring Heteroaromatic Scaffold

	2023
	Articolo in rivista
	High N‐H Photoacidity of a Nitrogen‐Rich Fused Ring Heteroaromatic Scaffold CHEMPHOTOCHEM. Vol. 7. Pag.e20220021-1-e20220021-5 ISSN:2367-0932.
	Centore, Roberto; D'Amato, Assunta; Della Sala, Giorgio; Di Donato, Mariangela; Landi, Alessandro; Manfredi, Carla; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1002/cptc.202200215 Codice identificativo ISI: WOS:000888917400001 Codice identificativo SCOPUS: 2-s2.0-85142217092
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303138Towards a fast machine-learning-assisted prediction of the mechanoelectric response in organic crystals

	2023
	Articolo in rivista
	Towards a fast machine-learning-assisted prediction of the mechanoelectric response in organic crystals JOURNAL OF MATERIALS CHEMISTRY. C. Vol. 11. Pag.12297-12306 ISSN:2050-7534.
	Padula, D.; Barneschi, L.; Peluso, A.; Cinaglia, T.; Landi, A.
	Versione online
	Digital Object Identifier (DOI): 10.1039/d3tc02235h Codice identificativo SCOPUS: 2-s2.0-85170424513
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294398Winning Strategy toward Acentric Crystals: Transverse Dipole Moment Molecules

	2023
	Articolo in rivista
	Winning Strategy toward Acentric Crystals: Transverse Dipole Moment Molecules CRYSTAL GROWTH & DESIGN. Vol. 23. Pag.4538-4544 ISSN:1528-7483.
	Parisi, E; Borbone, F; Carella, A; Lettieri, S; Capobianco, A; Peluso, A; Centore, R
	Digital Object Identifier (DOI): 10.1021/acs.cgd.3c00295 Codice identificativo ISI: WOS:000982870700001 Codice identificativo SCOPUS: 2-s2.0-85156261660
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294427Charge Localization in Acene Crystals from Ab Initio Electronic Structure

	2023
	Articolo in rivista
	Charge Localization in Acene Crystals from Ab Initio Electronic Structure THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS. Vol. 14. Pag.3343-3351 ISSN:1948-7185.
	Ambrosio, Francesco; Wiktor, Julia; Landi, Alessandro; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1021/acs.jpclett.3c00191 Codice identificativo ISI: WOS:000966853800001 Codice identificativo SCOPUS: 2-s2.0-85151390783
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305753Hydroxyl Radical vs. One-Electron Oxidation Reactivities in an Alternating GC Double-Stranded Oligonucleotide: A New Type Electron Hole Stabilization

	2023
	Articolo in rivista
	Hydroxyl Radical vs. One-Electron Oxidation Reactivities in an Alternating GC Double-Stranded Oligonucleotide: A New Type Electron Hole Stabilization BIOMOLECULES. Vol. 13. Pag.1493-1509 ISSN:2218-273X.
	Masi, Annalisa; Capobianco, Amedeo; Bobrowski, Krzysztof; Peluso, Andrea; Chatgilialoglu, Chryssostomos
	Versione online
	Digital Object Identifier (DOI): 10.3390/biom13101493 Codice identificativo ISI: WOS:001092403800001 Codice identificativo SCOPUS: 2-s2.0-85175070407
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257198Electron Transfer Rates in Solution: Toward a Predictive First Principle Approach

	2023
	Articolo in rivista
	Electron Transfer Rates in Solution: Toward a Predictive First Principle Approach CHEMISTRY. Vol. 5. Pag.97-105 ISSN:2624-8549.
	Leo, Anna; Ambrosio, Francesco; Landi, Alessandro; Peluso, Andrea
	Digital Object Identifier (DOI): 10.3390/chemistry5010008 Codice identificativo ISI: WOS:000956542100001 Codice identificativo SCOPUS: 2-s2.0-85151136516
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296800In-silico prediction of the organic solar cells’ performances

	2023
	Contributo in Atti di convegno
	In-silico prediction of the organic solar cells’ performances. In: OPTICAL PROBES 10 – 15 September 2023 Como, Italy Pag.77-77
	14th International Conference Conference on Optical Probes of Organic and Hybrid Semiconductors (OP2023) Como (Italy) 10/09/2023-15/09/2023
	Landi, Alessandro; Padula, Daniele; Peluso, Andrea
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223750Paper-Strip-Based Sensors for H2S Detection: A Proof-of-Principle Study

	2022
	Articolo in rivista
	Paper-Strip-Based Sensors for H2S Detection: A Proof-of-Principle Study SENSORS. Vol. 22. Pag.3173-3186 ISSN:1424-8220.
	Strianese, M.; Vykhovanets, V.; Blal, N.; Guarnieri, D.; Landi, A.; Peluso, A.; Pellecchia, C.; Lamberti, M.
	Digital Object Identifier (DOI): 10.3390/s22093173 Codice identificativo ISI: WOS:000795313200001 Codice identificativo SCOPUS: 2-s2.0-85128656034
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243859Efficient Charge Dissociation of Triplet Excitons in Bulk Heterojunction Solar Cells

	2022
	Articolo in rivista
	Efficient Charge Dissociation of Triplet Excitons in Bulk Heterojunction Solar Cells ACS APPLIED ENERGY MATERIALS. Pag.1-10 ISSN:2574-0962.
	Landi, A; Landi, A; Velardo, A; Peluso, A
	Digital Object Identifier (DOI): 10.1021/acsaem.2c01495 Codice identificativo ISI: WOS:000844302100001 Codice identificativo SCOPUS: 2-s2.0-85136676990
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260620Current Density and Spectroscopy-A Themed Issue in Honor of Professor Riccardo Zanasi on the Occasion of His 70th Birthday

	2022
	Articolo in rivista
	Current Density and Spectroscopy-A Themed Issue in Honor of Professor Riccardo Zanasi on the Occasion of His 70th Birthday CHEMISTRY. Vol. 4. Pag.118-120 ISSN:2624-8549.
	Peluso, Andrea; Monaco, Guglielmo
	Digital Object Identifier (DOI): 10.3390/chemistry4010010 Codice identificativo ISI: WOS:000775681900001 Codice identificativo SCOPUS: 2-s2.0-85131318069
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245909Electron Transfer Rates in Polar and Non-Polar Environments: a Generalization of Marcus’ Theory to Include an Effective Treatment of Tunneling Effects

	2022
	Articolo in rivista
	Electron Transfer Rates in Polar and Non-Polar Environments: a Generalization of Marcus’ Theory to Include an Effective Treatment of Tunneling Effects THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS. Pag.9148-9155 ISSN:1948-7185.
	Leo, Anna; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1021/acs.jpclett.2c02343 Codice identificativo ISI: WOS:000871000400001 Codice identificativo SCOPUS: 2-s2.0-85139258125
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256626Duplex DNA Retains the Conformational Features of Single Strands: Perspectives from MD Simulations and Quantum Chemical Computations

	2022
	Articolo in rivista
	Duplex DNA Retains the Conformational Features of Single Strands: Perspectives from MD Simulations and Quantum Chemical Computations INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES. Vol. 23. Pag.14452-14469 ISSN:1422-0067.
	Capobianco, Amedeo; Landi, Alessandro; Peluso, Andrea
	Digital Object Identifier (DOI): 10.3390/ijms232214452 Codice identificativo ISI: WOS:000888116900001 Codice identificativo SCOPUS: 2-s2.0-85142783298
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318653In-silico prediction of the organic solar cells’ efficiency

	2022
	Contributo in Atti di convegno
	In-silico prediction of the organic solar cells’ efficiency. In: XLVIII CNCF Genoa, 4-7 July 2022 XLVIII NATIONAL CONGRESS OF PHYSICAL CHEMISTRY Pag.51-51
	XLVIII NATIONAL CONGRESS OF PHYSICAL CHEMISTRY Genova 04/07/2022-07/07/2022
	Landi, Alessandro; Peluso, Andrea; Padula, Daniele
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206678Crystal structures and photoluminescence properties of chromium(III) complexes with 2-thenoyltrifluoroacetone ligand

	2021
	Articolo in rivista
	Crystal structures and photoluminescence properties of chromium(III) complexes with 2-thenoyltrifluoroacetone ligand JOURNAL OF MOLECULAR STRUCTURE. Vol. 1245. Pag.131023-131023 ISSN:0022-2860.
	Schettini, R.; Pierri, G.; Velardo, A.; Sissa, C.; Delledonne, A.; D'Amato, G.; Peluso, A.; Pragliola, S.; Tedesco, C.; Izzo, I.
	Digital Object Identifier (DOI): 10.1016/j.molstruc.2021.131023 Codice identificativo ISI: WOS:000703396800014 Codice identificativo SCOPUS: 2-s2.0-85111002525
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214755The time scale of electronic resonance in oxidized dna as modulated by solvent response: An md/qm-mm study

	2021
	Articolo in rivista
	The time scale of electronic resonance in oxidized dna as modulated by solvent response: An md/qm-mm study MOLECULES. Vol. 26. Pag.5497-5509 ISSN:1420-3049.
	Landi, A.; Capobianco, A.; Peluso, A.
	Digital Object Identifier (DOI): 10.3390/molecules26185497 Codice identificativo ISI: WOS:000699866500001 Codice identificativo SCOPUS: 2-s2.0-85114946226
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193484Quantitative Prediction of the Electro-Mechanical Response in Organic Crystals

	2021
	Articolo in rivista
	Quantitative Prediction of the Electro-Mechanical Response in Organic Crystals ADVANCED MATERIALS. Vol. 33. Pag.2008049-1-2008049-6 ISSN:1521-4095.
	Landi, Alessandro; Peluso, Andrea; Troisi, Alessandro
	Digital Object Identifier (DOI): 10.1002/adma.202008049 Codice identificativo ISI: WOS:000618954100001 Codice identificativo SCOPUS: 2-s2.0-85100873988
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214753Reliable Predictions of Benzophenone Singlet-Triplet Transition Rates: A Second-Order Cumulant Approach

	2021
	Articolo in rivista
	Reliable Predictions of Benzophenone Singlet-Triplet Transition Rates: A Second-Order Cumulant Approach JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. Vol. 125. Pag.43-49 ISSN:1089-5639.
	Velardo, A.; Landi, A.; Borrelli, R.; Peluso, A.
	Digital Object Identifier (DOI): 10.1021/acs.jpca.0c07848 Codice identificativo ISI: WOS:000611410000006 Codice identificativo SCOPUS: 2-s2.0-85099079041
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214757Is Aromatic Nitration Spin Density Driven?

	2021
	Articolo in rivista
	Is Aromatic Nitration Spin Density Driven? CHEMISTRY. Vol. 3. Pag.1286-1301 ISSN:2624-8549.
	Capobianco, Amedeo; Landi, Alessandro; Peluso, Andrea
	Digital Object Identifier (DOI): 10.3390/chemistry3040093 Codice identificativo ISI: WOS:000736109900001 Codice identificativo SCOPUS: 2-s2.0-85130227832
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214759High-Energy-Density Materials: An Amphoteric N-Rich Bis(triazole) and Salts of Its Cationic and Anionic Species

	2021
	Articolo in rivista
	High-Energy-Density Materials: An Amphoteric N-Rich Bis(triazole) and Salts of Its Cationic and Anionic Species INORGANIC CHEMISTRY. Vol. 60. Pag.16213-16222 ISSN:0020-1669.
	Parisi, E.; Landi, A.; Fusco, S.; Manfredi, C.; Peluso, A.; Wahler, S.; Klapotke, T. M.; Centore, R.
	Digital Object Identifier (DOI): 10.1021/acs.inorgchem.1c02002 Codice identificativo ISI: WOS:000715230700040 Codice identificativo SCOPUS: 2-s2.0-85118262988
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190376Fluorescent salen-type Zn(II) Complexes As Probes for Detecting Hydrogen Sulfide and Its Anion: Bioimaging Applications

	2020
	Articolo in rivista
	Fluorescent salen-type Zn(II) Complexes As Probes for Detecting Hydrogen Sulfide and Its Anion: Bioimaging Applications INORGANIC CHEMISTRY. Vol. 59. Pag.15977-15986 ISSN:0020-1669.
	Strianese, M.; Guarnieri, D.; Lamberti, M.; Landi, A.; Peluso, A.; Pellecchia, C.
	Digital Object Identifier (DOI): 10.1021/acs.inorgchem.0c02499 Codice identificativo ISI: WOS:000588738100042 Codice identificativo SCOPUS: 2-s2.0-85094667793
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187975Phototautomerism of triazolo-triazole scaffold

	2020
	Articolo in rivista
	Phototautomerism of triazolo-triazole scaffold JOURNAL OF MOLECULAR STRUCTURE. Vol. 1203. Pag.127368-127373 ISSN:0022-2860.
	Capobianco, A.; Di Donato, M.; Caruso, T.; Centore, R.; Lapini, A.; Manfredi, C.; Velardo, A.; Volino, S.; Peluso, A.
	Digital Object Identifier (DOI): 10.1016/j.molstruc.2019.127368 Codice identificativo ISI: WOS:000504448700015 Codice identificativo SCOPUS: 2-s2.0-85075875663
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187974Coherent Effects in Charge Transport in Molecular Wires: Toward a Unifying Picture of Long-Range Hole Transfer in DNA

	2020
	Articolo in rivista
	Coherent Effects in Charge Transport in Molecular Wires: Toward a Unifying Picture of Long-Range Hole Transfer in DNA THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS. Vol. 11. Pag.7769-7775 ISSN:1948-7185.
	Landi, A.; Capobianco, A.; Peluso, A.
	Digital Object Identifier (DOI): 10.1021/acs.jpclett.0c01996 Codice identificativo ISI: WOS:000574906500042 Codice identificativo SCOPUS: 2-s2.0-85091191622
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187973Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand

	2020
	Articolo in rivista
	Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand DALTON TRANSACTIONS. Vol. 23. Pag.14452-14462 ISSN:1477-9226.
	Parisi, Emmanuele; Capasso, Domenica; Capobianco, Amedeo; Peluso, Andrea; Di Gaetano, Sonia; Fusco, Sandra; Manfredi, Carla; Mozzillo, Rosaria; Pinto, Gabriella; Centore, Roberto
	Digital Object Identifier (DOI): 10.1039/d0dt02572k Codice identificativo ISI: WOS:000587719100016 Codice identificativo SCOPUS: 2-s2.0-85094932126
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164648The dynamics of hole transfer in DNA

	2019
	Articolo in rivista
	The dynamics of hole transfer in DNA MOLECULES. Vol. 24. Pag.4044-4064 ISSN:1420-3049.
	Peluso, A.; Caruso, T.; Landi, A.; Capobianco, A.
	Versione online
	Digital Object Identifier (DOI): 10.3390/molecules24224044 Codice identificativo ISI: WOS:000501529700033 Codice identificativo SCOPUS: 2-s2.0-85074683029
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164550Explaining different experimental hole mobilities: influence of polymorphism on dynamic disorder in pentacene

	2019
	Articolo in rivista
	Explaining different experimental hole mobilities: influence of polymorphism on dynamic disorder in pentacene JOURNAL OF MATERIALS CHEMISTRY. C. Vol. 7. Pag.9665-9670 ISSN:2050-7534.
	Landi, Alessandro; Troisi, Alessandro; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1039/c9tc03174j Codice identificativo ISI: WOS:000480277200024 Codice identificativo SCOPUS: 2-s2.0-85070542479
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157151Disentangling Electronic and Vibrational Effects in the Prediction of Band Shapes for Singlet-Triplet Transitions

	2019
	Articolo in rivista
	Disentangling Electronic and Vibrational Effects in the Prediction of Band Shapes for Singlet-Triplet Transitions JOURNAL OF PHYSICAL CHEMISTRY. C. Vol. 123. Pag.14173-14179 ISSN:1932-7447.
	Velardo, A.; Borrelli, R.; Capobianco, A.; Landi, A.; Peluso, A.
	Versione online
	Digital Object Identifier (DOI): 10.1021/acs.jpcc.9b01130 Codice identificativo ISI: WOS:000471834000008 Codice identificativo SCOPUS: 2-s2.0-85067503846
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157152Transient and Enduring Electronic Resonances Drive Coherent Long Distance Charge Transport in Molecular Wires

	2019
	Articolo in rivista
	Transient and Enduring Electronic Resonances Drive Coherent Long Distance Charge Transport in Molecular Wires THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS. Vol. 10. Pag.1845-1851 ISSN:1948-7185.
	Landi, A.; Borrelli, R.; Capobianco, A.; Peluso, A.
	Versione online
	Digital Object Identifier (DOI): 10.1021/acs.jpclett.9b00650 Codice identificativo ISI: WOS:000465507700029 Codice identificativo SCOPUS: 2-s2.0-85064597679
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214761Efficient Prediction of Coherent Long-Distance Charge Transport in DNA

	2019
	Contributo in Atti di convegno
	Efficient Prediction of Coherent Long-Distance Charge Transport in DNA. In: Proceedings of the Merck Young Chemists’ Symposium 2019 Società Chimica Italiana Pag.46-46 ISBN:978-88-94952-15-5
	Merck Young Chemists’ Symposium 2019 Rimini (Italia) 25-27 Novembre 2019
	Landi, Alessandro; Capobianco, Amedeo; Peluso, Andrea
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130720An Anthracene-Incorporated [8]Cycloparaphenylene Derivative as an Emitter in Photon Upconversion

	2018
	Articolo in rivista
	An Anthracene-Incorporated [8]Cycloparaphenylene Derivative as an Emitter in Photon Upconversion JOURNAL OF ORGANIC CHEMISTRY. Vol. 83. Pag.220-227 ISSN:0022-3263.
	Della Sala, Paolo; Capobianco, Amedeo; Caruso, Tonino; Talotta, Carmen; De Rosa, Margherita; Neri, Placido; Peluso, Andrea; Gaeta, Carmine
	Digital Object Identifier (DOI): 10.1021/acs.joc.7b02590 Codice identificativo ISI: WOS:000419749500021 Codice identificativo SCOPUS: 2-s2.0-85041218004
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132432Hole Hopping Rates in Organic Semiconductors: A Second-Order Cumulant Approach

	2018
	Articolo in rivista
	Hole Hopping Rates in Organic Semiconductors: A Second-Order Cumulant Approach JOURNAL OF CHEMICAL THEORY AND COMPUTATION. Vol. 14. Pag.1594-1601 ISSN:1549-9618.
	Landi, Alessandro; Borrelli, Raffaele; Capobianco, Amedeo; Velardo, Amalia; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1021/acs.jctc.7b00858 Codice identificativo ISI: WOS:000427661400039 Codice identificativo SCOPUS: 2-s2.0-85043986632
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149795Second-Order Cumulant Approach for the Evaluation of Anisotropic Hole Mobility in Organic Semiconductors

	2018
	Articolo in rivista
	Second-Order Cumulant Approach for the Evaluation of Anisotropic Hole Mobility in Organic Semiconductors JOURNAL OF PHYSICAL CHEMISTRY. C. Vol. 122. Pag.25849-25857 ISSN:1932-7447.
	Landi, Alessandro; Borrelli, Raffaele; Capobianco, Amedeo; Velardo, Amalia; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1021/acs.jpcc.8b08126 Codice identificativo ISI: WOS:000451101400014 Codice identificativo SCOPUS: 2-s2.0-85056176902
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161363Solid state selection between nearly isoenergetic tautomeric forms driven by right hydrogen-bonding pairing

	2018
	Articolo in rivista
	Solid state selection between nearly isoenergetic tautomeric forms driven by right hydrogen-bonding pairing CRYSTAL GROWTH & DESIGN. Vol. 18. Pag.6293-6301 ISSN:1528-7483.
	Fusco, S.; Parisi, E.; Carella, A.; Capobianco, A.; Peluso, A.; Manfredi, C.; Borbone, F.; Centore, R.
	Versione online
	Digital Object Identifier (DOI): 10.1021/acs.cgd.8b01158 Codice identificativo ISI: WOS:000446923500067 Codice identificativo SCOPUS: 2-s2.0-85054129132
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153218Single Stranded DNA Oligonucleotides Retain Rise Coordinates Characteristic of Double Helices

	2018
	Articolo in rivista
	Single Stranded DNA Oligonucleotides Retain Rise Coordinates Characteristic of Double Helices JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. Vol. 122. Pag.7978-7989 ISSN:1520-6106.
	Capobianco, Amedeo; Velardo, Amalia; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1021/acs.jpcb.8b04542 Codice identificativo ISI: WOS:000442959900004 Codice identificativo SCOPUS: 2-s2.0-85052336755
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150103Chemically modified cycloparaphenylenes with novel optoelectronic and supramolecular properties

	2018
	Contributo in Atti di convegno
	Chemically modified cycloparaphenylenes with novel optoelectronic and supramolecular properties. In: Atti del XXXVIII Convegno Nazionale della Divisione di Chimica Organica della Società Chimica Italiana Pag.58-58
	XXXVIII Convegno Nazionale della Divisione di Chimica Organica della Società Chimica Italiana Milano 9-13 Settembre
	DELLA SALA, Paolo; Caruso, Tonino; Talotta, Carmen; Capobianco, Amedeo; DE ROSA, Margherita; Soriente, Annunziata; Peluso, Andrea; Neri, Placido; Gaeta, Carmine
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112805Modeling DNA oxidation in water

	2017
	Articolo in rivista
	Modeling DNA oxidation in water PHYSICAL CHEMISTRY CHEMICAL PHYSICS. Vol. 19. Pag.13571-13578 ISSN:1463-9076.
	Capobianco, Amedeo; Landi, Alessandro; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1039/C7CP02029E Codice identificativo ISI: WOS:000402488300020 Codice identificativo SCOPUS: 2-s2.0-85024370046
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112804Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles

	2017
	Articolo in rivista
	Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles JOURNAL OF ORGANIC CHEMISTRY. Vol. 82. Pag.5155-5161 ISSN:0022-3263.
	Centore, Roberto; Manfredi, Carla; Capobianco, Amedeo; Volino, Sabato; Ferrara, Maria Vittoria; Carella, Antonio; Fusco, Sandra; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1021/acs.joc.7b00380 Codice identificativo ISI: WOS:000402023200014 Codice identificativo SCOPUS: 2-s2.0-85019396056
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116066Synthesis, spectroscopic properties and DFT calculations of a novel multipolar azo dye and its zinc(II) complex

	2017
	Articolo in rivista
	Synthesis, spectroscopic properties and DFT calculations of a novel multipolar azo dye and its zinc(II) complex INORGANIC CHEMISTRY COMMUNICATIONS. Vol. 84. Pag.103-108 ISSN:1387-7003.
	Panunzi, Barbara; Borbone, Fabio; Capobianco, Amedeo; Concilio, Simona; Diana, Rosita; Peluso, Andrea; PIOTTO PIOTTO, Stefano; Tuzi, Angela; Velardo, Amalia; Caruso, Ugo
	Versione online
	Digital Object Identifier (DOI): 10.1016/j.inoche.2017.08.001 Codice identificativo ISI: WOS:000413282800025 Codice identificativo SCOPUS: 2-s2.0-85026910792
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214764Modeling hole transfer in DNA oligonucleotides

	2017
	Contributo in Atti di convegno
	Modeling hole transfer in DNA oligonucleotides. In: Proceedings of the Merck Young Chemists Symposium XVII edition Società Chimica Italiana Pag.54-54 ISBN:978-88-86208-89-5
	Merck Young Chemists Symposium Milano Marittima (Italia) 13-15 Novembre 2017
	Landi, Alessandro; Borrelli, Raffaele; Capobianco, Amedeo; Peluso, Andrea
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139150A [8]Cycloparaphenylene Derivative as Emitter in Triplet-Triplet Annihilation Upconversion

	2017
	Contributo in Atti di convegno
	A [8]Cycloparaphenylene Derivative as Emitter in Triplet-Triplet Annihilation Upconversion. In: Atti del XXVI Congresso Nazionale della Società Chimica Italiana Pag.274-274 ISBN:9788886208802; 9788886208840
	XXVI Congresso Nazionale della Società Chimica Italiana Paestum (SA) 11-14 Settembre 2017
	DELLA SALA, Paolo; Capobianco, Amedeo; Caruso, Tonino; Talotta, Carmen; DE ROSA, Margherita; Neri, Placido; Peluso, Andrea; Gaeta, Carmine
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214765First principle analysis of singlet-triplet transitions in organic molecules

	2017
	Contributo in Atti di convegno
	First principle analysis of singlet-triplet transitions in organic molecules. In: Proceedings of the Merck Young Chemists Symposium XVII edition Società Chimica Italiana Pag.46-46 ISBN:978-88-86208-89-5
	Merck Young Chemists Symposium Milano Marittima (Italia) 13-15 Novembre 2017
	Velardo, Amalia; Borrelli, Raffaele; Capobianco, Amedeo; Landi, Alessandro; Peluso, Andrea
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100977First-Principle Calculations of the Band Shapes of Singlet–Triplet Transitions

	2016
	Articolo in rivista
	First-Principle Calculations of the Band Shapes of Singlet–Triplet Transitions JOURNAL OF PHYSICAL CHEMISTRY. C. Vol. 120. Pag.24605-24614 ISSN:1932-7447.
	Velardo, Amalia; Borrelli, Raffaele; Peluso, Andrea; Capobianco, Amedeo
	Versione online
	Digital Object Identifier (DOI): 10.1021/acs.jpcc.6b07709 Codice identificativo ISI: WOS:000387198400012 Codice identificativo SCOPUS: 2-s2.0-85006382033
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101341Absorption Band Shapes of a Push-Pull Dye Approaching the Cyanine Limit: A Challenging Case for First Principle Calculations

	2016
	Articolo in rivista
	Absorption Band Shapes of a Push-Pull Dye Approaching the Cyanine Limit: A Challenging Case for First Principle Calculations JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. Vol. 120. Pag.5581-5589 ISSN:1089-5639.
	Capobianco, Amedeo; Borrelli, Raffaele; Landi, Alessandro; Velardo, Amalia; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1021/acs.jpca.6b05220 Codice identificativo ISI: WOS:000380590800019 Codice identificativo SCOPUS: 2-s2.0-84979515532
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87581N-Rich Fused Heterocyclic Systems: Synthesis, Structure, Optical and Electrochemical Characterization

	2016
	Articolo in rivista
	N-Rich Fused Heterocyclic Systems: Synthesis, Structure, Optical and Electrochemical Characterization EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. Vol. 2016. Pag.1772-1780 ISSN:1434-193X.
	Fusco, Sandra; Maglione, Cira; Velardo, Amalia; Piccialli, Vincenzo; Liguori, Rosalba; Peluso, Andrea; Rubino, Alfredo; Centore, Roberto
	Versione online
	Digital Object Identifier (DOI): 10.1002/ejoc.201501283 Codice identificativo ISI: WOS:000374149600019 Codice identificativo SCOPUS: 2-s2.0-84959418909
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106144Quantum dynamics of electronic transitions with Gauss-Hermite wave packets

	2016
	Articolo in rivista
	Quantum dynamics of electronic transitions with Gauss-Hermite wave packets THE JOURNAL OF CHEMICAL PHYSICS. Vol. 144. Pag.114102-114108 ISSN:0021-9606.
	Borrelli, Raffaele; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1063/1.4943538 Codice identificativo SCOPUS: 2-s2.0-84962284925
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106147Tuning optical absorption in pyran derivatives for DSSC

	2016
	Articolo in rivista
	Tuning optical absorption in pyran derivatives for DSSC JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY. A, CHEMISTRY. Vol. 321. Pag.79-89 ISSN:1010-6030.
	Maglione, C.; Carella, A; Centore, R.; Fusco, S.; Velardo, Amalia; Peluso, Andrea; Colonna, D.; Di Carlo, A.
	Versione online
	Digital Object Identifier (DOI): 10.1016/j.jphotochem.2016.01.018 Codice identificativo SCOPUS: 2-s2.0-84955572859
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106140Novel pyran based dyes for application in dye sensitized solar cells

	2016
	Articolo in rivista
	Novel pyran based dyes for application in dye sensitized solar cells DYES AND PIGMENTS. Vol. 133. Pag.395-405 ISSN:0143-7208.
	Maglione, C.; Carella, A; Carbonara, C.; Centore, R.; Fusco, Sandra; Velardo, Amalia; Peluso, Andrea; Colonna, D.; Lanuti, A.; Di Carlo, A.
	Versione online
	Digital Object Identifier (DOI): 10.1016/j.dyepig.2016.06.024 Codice identificativo SCOPUS: 2-s2.0-84975260812
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78953Quantum dynamics of radiationless electronic transitions including normal modes displacements and duschinsky rotations: A second-order cumulant approach

	2015
	Articolo in rivista
	Quantum dynamics of radiationless electronic transitions including normal modes displacements and duschinsky rotations: A second-order cumulant approach JOURNAL OF CHEMICAL THEORY AND COMPUTATION. Vol. 11. Pag.415-422 ISSN:1549-9618.
	Borrelli, Raffaele; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1021/ct500966c Codice identificativo SCOPUS: 2-s2.0-84922636636
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65496Hole delocalization over adenine tracts in single stranded DNA oligonucleotides

	2015
	Articolo in rivista
	Hole delocalization over adenine tracts in single stranded DNA oligonucleotides PHYSICAL CHEMISTRY CHEMICAL PHYSICS. Vol. 17. Pag.4750-4756 ISSN:1463-9076.
	Capobianco, Amedeo; Caruso, Tonino; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1039/c4cp04282d Codice identificativo ISI: WOS:000349005900089 Codice identificativo SCOPUS: 2-s2.0-84964311563
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65485Delocalized hole domains in Guanine-rich DNA oligonucleotides

	2015
	Articolo in rivista
	Delocalized hole domains in Guanine-rich DNA oligonucleotides THE JOURNAL OF PHYSICAL CHEMISTRY. B. Vol. 119. Pag.5462-5466 ISSN:1520-5207.
	Capobianco, Amedeo; Caruso, Tonino; D'Ursi, Anna Maria; Fusco, Sandra; Masi, Annalisa; Scrima, Mario; Chatgilialoglu, Chryssostomos; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1021/acs.jpcb.5b02940 Codice identificativo ISI: WOS:000353931000014 Codice identificativo SCOPUS: 2-s2.0-84928957577
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65472The association constant of 5′,8-cyclo-2′-deoxyguanosine with cytidine

	2015
	Articolo in rivista
	The association constant of 5′,8-cyclo-2′-deoxyguanosine with cytidine FRONTIERS IN CHEMISTRY. Vol. 3. Pag.1-6 ISSN:2296-2646.
	Capobianco, Amedeo; Caruso, Tonino; Fusco, Sandra; Terzidis, Michael A.; Masi, Annalisa; Chatgilialoglu, Chryssostomos; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.3389/fchem.2015.00022 Codice identificativo ISI: WOS:000373356100001 Codice identificativo SCOPUS: 2-s2.0-84969253513
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74784First Principle Analysis of Charge Dissociation and Charge Recombination Processes in Organic Solar Cells

	2015
	Articolo in rivista
	First Principle Analysis of Charge Dissociation and Charge Recombination Processes in Organic Solar Cells JOURNAL OF PHYSICAL CHEMISTRY. C. Vol. 119. Pag.18870-18876 ISSN:1932-7447.
	Velardo, Amalia; Borrelli, Raffaele; Capobianco, Amedeo; La Rocca, Mario Vincenzo; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1021/acs.jpcc.5b04038 Codice identificativo ISI: WOS:000360026200005 Codice identificativo SCOPUS: 2-s2.0-84939779372
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73502DFT predictions of the oxidation potential of organic dyes for opto-electronic devices

	2015
	Articolo in rivista
	DFT predictions of the oxidation potential of organic dyes for opto-electronic devices COMPUTATIONAL AND THEORETICAL CHEMISTRY. Vol. 1070. Pag.68-75 ISSN:2210-271X.
	Capobianco, Amedeo; Velardo, Amalia; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1016/j.comptc.2015.07.023 Codice identificativo ISI: WOS:000361576000010 Codice identificativo SCOPUS: 2-s2.0-84938773744
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78943Vibronic couplings and coherent electron transfer in bridged systems

	2015
	Articolo in rivista
	Vibronic couplings and coherent electron transfer in bridged systems PHYSICAL CHEMISTRY CHEMICAL PHYSICS. Vol. 17. Pag.30937-30945 ISSN:1463-9084.
	Borrelli, Raffaele; Capobianco, Amedeo; Landi, Alessandro; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1039/c5cp01190f Codice identificativo ISI: WOS:000365401700016 Codice identificativo SCOPUS: 2-s2.0-84947997454
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75475Proton induced tautomeric switching in N-rich aromatics with tunable acid-base character

	2015
	Articolo in rivista
	Proton induced tautomeric switching in N-rich aromatics with tunable acid-base character JOURNAL OF MOLECULAR STRUCTURE. Vol. 1093. Pag.119-124 ISSN:0022-2860.
	Centore, Roberto; Manfredi, Carla; Fusco, Sandra; Maglione, Cira; Carella, Antonio; Capobianco, Amedeo; Peluso, Andrea; Colonna, Daniele; Di Carlo, Aldo
	Digital Object Identifier (DOI): 10.1016/j.molstruc.2015.03.030 Codice identificativo ISI: WOS:000355041400015 Codice identificativo SCOPUS: 2-s2.0-84926638622
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74153One-pot highly diastereoselective annulation to N-unprotected tetrasubstituted 2-pyrrolines

	2015
	Articolo in rivista
	One-pot highly diastereoselective annulation to N-unprotected tetrasubstituted 2-pyrrolines GREEN CHEMISTRY. Vol. 17. Pag.2137-2140 ISSN:1463-9262.
	Meninno, Sara; Capobianco, Amedeo; Peluso, Andrea; Lattanzi, Alessandra
	Digital Object Identifier (DOI): 10.1039/C4GC02191F Codice identificativo ISI: 000352724200013 Codice identificativo SCOPUS: 2-s2.0-84927631971
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75541Delocalized Polarons in Single Stranded DNA Oligonucleotides

	2015
	Contributo in Atti di convegno
	Delocalized Polarons in Single Stranded DNA Oligonucleotides. In: Congress of Theoretical Chemists of Latin Expression Pag.23-23
	Congress of Theoretical Chemists of Latin Expression Torino 26-31 july 2015
	Capobianco, Amedeo; Caruso, Tonino; Peluso, Andrea
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75543The rates of charge dissociation and charge recombination processes in organic solar cells

	2015
	Contributo in Atti di convegno
	The rates of charge dissociation and charge recombination processes in organic solar cells. In: GEI2015 Pag.77-77
	Giornate dell'Elettrochimica Italiana Bertinoro (FO) 20-24 September 2015
	Velardo, Amalia; Capobianco, Amedeo; Peluso, Andrea
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65265The oxidization potential of AA steps in single strand DNA oligomers

	2014
	Articolo in rivista
	The oxidization potential of AA steps in single strand DNA oligomers RSC ADVANCES. Vol. 4. Pag.47887-47893 ISSN:2046-2069.
	Capobianco, Amedeo; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1039/C4RA09270H Codice identificativo ISI: WOS:000343035800098 Codice identificativo SCOPUS: 2-s2.0-84961981810
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60706Hole hopping rates in single strand oligonucleotides

	2014
	Articolo in rivista
	Hole hopping rates in single strand oligonucleotides CHEMICAL PHYSICS. Vol. 440. Pag.25-30 ISSN:0301-0104.
	Raffaele, Borrelli; Capobianco, Amedeo; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1016/j.chemphys.2014.05.010 Codice identificativo ISI: WOS:000340565000004 Codice identificativo SCOPUS: 2-s2.0-84903575957
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61333POLY(N-PENTENYL-CARBAZOLE): DESIGN, SYNTHESIS, AND ELECTRONIC PROPERTIES

	2014
	Contributo in Atti di convegno
	POLY(N-PENTENYL-CARBAZOLE): DESIGN, SYNTHESIS, AND ELECTRONIC PROPERTIES. In: ICOE 2014 Pag.140-141
	The 10° Intenational Conference on Organic Electronics Modena 11-13 giugno 2014
	Velardo, A.; Botta, A.; Pragliola, Stefania; Peluso, Andrea; Venditto, Vincenzo; Rubino, Alfredo
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61320Oxidative Stability of Nucleobases by Stacking Interactions in Oligonucleotides. A Differential Pulse Voltammetry approach

	2014
	Contributo in Atti di convegno
	Oxidative Stability of Nucleobases by Stacking Interactions in Oligonucleotides. A Differential Pulse Voltammetry approach. In: XXV Congresso Nazionale della Società Chimica Italiana Cosenza SCI Vol.1, Pag.26-26
	XXV Congresso Nazionale della Società Chimica Italiana Arcavacata di Rende 07-12 Settembre 2014
	Caruso, Tonino; Capobianco, Amedeo; Peluso, Andrea
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61354The effect of inter-base interactions on the electronic states of oxidized DNA

	2014
	Contributo in Atti di convegno
	The effect of inter-base interactions on the electronic states of oxidized DNA. In: Biomimetic Radical Chemistry Antalya ACB Vol.1, Pag.38-38
	Biomimetic Radical Chemistry Antalya 7-8 maggio 2014
	Caruso, Tonino; Capobianco, Amedeo; Celentano, Maurizio; Peluso, Andrea
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61198The effect of inter-base interactions on the electronic states of oxidized DNA

	2014
	Contributo in Atti di convegno
	The effect of inter-base interactions on the electronic states of oxidized DNA. In: Biomimetic Radical Chemistry Antalya ACB Vol.1, Pag.38-38
	Biomimetic Radical Chemistry Antalya 7-9 maggio 2014
	Caruso, Tonino; Capobianco, Amedeo; Celentano, Maurizio; Peluso, Andrea
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57486Franck–Condon factors—Computational approaches and recentdevelopments

	2013
	Articolo in rivista
	Franck–Condon factors—Computational approaches and recentdevelopments CANADIAN JOURNAL OF CHEMISTRY. Vol. 91. Pag.495-504 ISSN:0008-4042.
	Raffaele, Borrelli; Capobianco, Amedeo; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1139/cjc-2012-0518 Codice identificativo ISI: 000321436200002 Codice identificativo SCOPUS: 2-s2.0-84879357118
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57569Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals

	2013
	Articolo in rivista
	Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals CRYSTENGCOMM. Vol. 15. Pag.3318-3325 ISSN:1466-8033.
	Roberto, Centore; Sandra, Fusco; Mojca, Jazbinsek; Capobianco, Amedeo; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1039/c3ce00005b Codice identificativo ISI: 000316962300014 Codice identificativo SCOPUS: 2-s2.0-84875792475
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57571Ring to open-chain transformation induced by selective metalcoordination in a new dithiocarbazate ligand

	2013
	Articolo in rivista
	Ring to open-chain transformation induced by selective metalcoordination in a new dithiocarbazate ligand INORGANICA CHIMICA ACTA. Vol. 404. Pag.29-33 ISSN:0020-1693.
	Roberto, Centore; Reza, Takjoo; Capobianco, Amedeo; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1016/j.ica.2013.04.030 Codice identificativo ISI: 000320651900005 Codice identificativo SCOPUS: 2-s2.0-84878222926
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56080Molecular hyperpolarizabilities of push–pull chromophores: A comparison between theoretical and experimental results

	2013
	Articolo in rivista
	Molecular hyperpolarizabilities of push–pull chromophores: A comparison between theoretical and experimental results CHEMICAL PHYSICS. Vol. 411. Pag.11-16 ISSN:0301-0104.
	Capobianco, Amedeo; R., Centore; Noce, Canio; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1016/j.chemphys.2012.11.019 Codice identificativo ISI: WOS:000314162500003 Codice identificativo SCOPUS: 2-s2.0-84872957703
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101579Correction to: "Photoelectron spectrum of ammonia, a test case for the calculation of franck-condon factors in molecules undergoing large geometrical displacements upon photoionization" (Journal of Physical Chemistry A (2009) 113:52 (14831-14837) DOI: 10.1021/jp905004z)

	2013
	Articolo in rivista
	Correction to: "Photoelectron spectrum of ammonia, a test case for the calculation of franck-condon factors in molecules undergoing large geometrical displacements upon photoionization" (Journal of Physical Chemistry A (2009) 113:52 (14831-14837) DOI: 10.1021/jp905004z) JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. Vol. 117. Pag.10985-10985 ISSN:1089-5639.
	Peluso, Andrea; Borrelli, Raffaele; Capobianco, Amedeo
	Versione online
	Digital Object Identifier (DOI): 10.1021/jp409235k Codice identificativo ISI: WOS:000326259700018 Codice identificativo SCOPUS: 2-s2.0-84886632565
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113687Erratum: The vibrational progressions of the N → v electronic transition of ethylene: A test case for the computation of Franck-Condon factors of highly flexible photoexcited molecules (Journal of Chemical Physics (2006) 125 (194308))

	2013
	Articolo in rivista
	Erratum: The vibrational progressions of the N → v electronic transition of ethylene: A test case for the computation of Franck-Condon factors of highly flexible photoexcited molecules (Journal of Chemical Physics (2006) 125 (194308)) THE JOURNAL OF CHEMICAL PHYSICS. Vol. 139. Pag.159902-159902 ISSN:0021-9606.
	Borrelli, Raffaele; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1063/1.4825201 Codice identificativo SCOPUS: 2-s2.0-84903367738
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57484{4-Bromo-2-[(2-{(ethylsulfanyl)[(2-oxidobenzylidene-κO)amino-κN]methylidene}hydrazinylidene-κN1)methyl]phenolato-κO}(ethanol-κO)dioxidouranium(VI)

	2013
	Articolo in rivista
	{4-Bromo-2-[(2-{(ethylsulfanyl)[(2-oxidobenzylidene-κO)amino-κN]methylidene}hydrazinylidene-κN1)methyl]phenolato-κO}(ethanol-κO)dioxidouranium(VI) ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE. Vol. E69. Pag.m362-m363 ISSN:1600-5368.
	Roberto, Centore; Mehdi, Ahmadi; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1107/S1600536813014669 Codice identificativo SCOPUS: 2-s2.0-84879982649
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57483Electro-optical properties from CC2 Calculations: A comparison betweentheoretical and experimental results

	2013
	Articolo in rivista
	Electro-optical properties from CC2 Calculations: A comparison betweentheoretical and experimental results CHEMICAL PHYSICS LETTERS. Vol. 580. Pag.126-129 ISSN:0009-2614.
	Capobianco, Amedeo; Roberto, Centore; Sandra, Fusco; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1016/j.cplett.2013.07.004 Codice identificativo ISI: 000323017800024 Codice identificativo SCOPUS: 2-s2.0-84880922558
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57100Proton transfer in oxidized adenosine self-aggregates

	2013
	Articolo in rivista
	Proton transfer in oxidized adenosine self-aggregates THE JOURNAL OF CHEMICAL PHYSICS. Vol. 139. Pag.145101-145104 ISSN:0021-9606.
	Capobianco, Amedeo; Caruso, Tonino; Celentano, Maurizio; Mario Vincenzo La, Rocca; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1063/1.4823495 Codice identificativo ISI: WOS:000325780800054 Codice identificativo SCOPUS: 2-s2.0-84886928120
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57566Elementary electron transfer reactions: from basic concepts to recent computational advances

	2013
	Articolo in rivista
	Elementary electron transfer reactions: from basic concepts to recent computational advances WILEY INTERDISCIPLINARY REVIEWS. COMPUTATIONAL MOLECULAR SCIENCE. Vol. 3. Pag.542-559 ISSN:1759-0884.
	Raffaele, Borrelli; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1002/wcms.1147
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55637Detection of an ylide intermediate in the electrochemically-induced Stevens rearrangement of an ammonium salt by in situ UV-vis spectroelectrochemistry

	2013
	Articolo in rivista
	Detection of an ylide intermediate in the electrochemically-induced Stevens rearrangement of an ammonium salt by in situ UV-vis spectroelectrochemistry ELECTROCHIMICA ACTA. Vol. 92. Pag.446-451 ISSN:0013-4686.
	Capobianco, Amedeo; Caruso, Tonino; Palombi, Laura; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1016/j.electacta.2013.01.079 Codice identificativo ISI: WOS:000316520100058 Codice identificativo SCOPUS: 2-s2.0-84873418233
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57485Tautomerism in the Fused N-Rich Triazolotriazole Heterocyclic System

	2013
	Articolo in rivista
	Tautomerism in the Fused N-Rich Triazolotriazole Heterocyclic System EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. Pag.3721-3728 ISSN:1099-0690.
	Roberto, Centore; Sandra, Fusco; Capobianco, Amedeo; Vincenzo, Piccialli; Sabrina, Zaccaria; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1002/ejoc.201201653 Codice identificativo ISI: 000320385000016 Codice identificativo SCOPUS: 2-s2.0-84877274108
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56661Stacking Interactions between Adenines in OxidizedOligonucleotides

	2013
	Articolo in rivista
	Stacking Interactions between Adenines in OxidizedOligonucleotides JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. Vol. 117. Pag.8947-8953 ISSN:1520-6106.
	Capobianco, Amedeo; Caruso, Tonino; Celentano, Maurizio; D'Ursi, Anna Maria; Scrima, Mario; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1021/jp404133a Codice identificativo ISI: WOS:000322807200003 Codice identificativo SCOPUS: 2-s2.0-84881223499
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57913Stacking interactions between adenines in DNA oligonucleotides

	2013
	Contributo in Atti di convegno
	Stacking interactions between adenines in DNA oligonucleotides. In: Symposium on electrochemistry Ljubljana Ingrid Milosev, Miran Gabersev Pag.70-70
	Regional Symposium on Electrochemistry RSE-SEE South East Europe Ljubljana maggio 26-30 2013
	Peluso, Andrea; Capobianco, Amedeo; Maurizio, Celentano; Caruso, Tonino
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57912A spectroelectrochemistry study of adenosine and adenosine-thymidine base pair

	2013
	Contributo in Atti di convegno
	A spectroelectrochemistry study of adenosine and adenosine-thymidine base pair. In: Symposium on electrochemistry Ljubljana Ingrid Milosev, Miran Gabersek Pag.69-69
	Regional Symposium on Electrochemistry RSE-SEE South East Europe Ljubljana maggio 26-30 2013
	Capobianco, Amedeo; Maurizio, Celentano; Caruso, Tonino; Peluso, Andrea
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61347THE LOW ENERGY STATE DISTRIBUTION OF OXIDIZED DNA: A VOLTAMMETRIC AND SPECTROELECTROCHEMISTRY APPROACH

	2013
	Contributo in Atti di convegno
	THE LOW ENERGY STATE DISTRIBUTION OF OXIDIZED DNA: A VOLTAMMETRIC AND SPECTROELECTROCHEMISTRY APPROACH. In: Giornate dell’Elettrochimica Italiana Pavia GEI Vol.1, Pag.61-61
	Giornate dell’Elettrochimica Italiana Pavia 22 – 27 Settembre 2013
	Caruso, Tonino; Capobianco, Amedeo; Celentano, Maurizio; Peluso, Andrea
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57850STACKING INTERACTIONS BETWEEN ADENINES IN DNA OLIGONUCLEOTIDES

	2013
	Poster
	STACKING INTERACTIONS BETWEEN ADENINES IN DNA OLIGONUCLEOTIDES. In: Atti del XXIV Congresso della Divisione di Chimica analitica della SCI Genova Antonella Rossi Pag.151-151
	XXIV Congresso della Divisione di Chimica analitica della SCI sestri levante 15 - 19 Settembre 2013
	Capobianco, Amedeo; Caruso, Tonino; M., Celentano; Peluso, Andrea
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57849PROTON COUPLED ELECTRON TRANSFER IN ADENOSINE SELFAGGREGATES

	2013
	Poster
	PROTON COUPLED ELECTRON TRANSFER IN ADENOSINE SELFAGGREGATES. In: Atti del XXIV Congresso della Divisione di Chimica analitica della SCI Genova Antonella Rossi Pag.150-150
	XXIV Congresso della Divisione di Chimica analitica della SCI Sestri Levante 15 - 19 Settembre 2013
	Capobianco, Amedeo; Caruso, Tonino; M., Celentano; Peluso, Andrea
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57757Tuning Wavefunction Mixing in Push–Pull Molecules: From Neutral toZwitterionic Compounds

	2012
	Articolo in rivista
	Tuning Wavefunction Mixing in Push–Pull Molecules: From Neutral toZwitterionic Compounds EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. Pag.2980-2989 ISSN:1099-0690.
	Capobianco, Amedeo; Antonio, Esposito; Caruso, Tonino; Fabio, Borbone; Antonio, Carella; Roberto, Centore; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1002/ejoc.201200161 Codice identificativo ISI: WOS:000303994100011 Codice identificativo SCOPUS: 2-s2.0-84861155514
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52646Generating Function Approach to the Calculation of Spectral Band Shapes of Free-Base Chlorin Including Duschinsky and Herzberg–Teller Effects

	2012
	Articolo in rivista
	Generating Function Approach to the Calculation of Spectral Band Shapes of Free-Base Chlorin Including Duschinsky and Herzberg–Teller Effects JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. Vol. 116. Pag.9934-9940 ISSN:1089-5639.
	Raffaele, Borrelli; Capobianco, Amedeo; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1021/jp307887s Codice identificativo ISI: WOS:000309648800019 Codice identificativo SCOPUS: 2-s2.0-84868091758
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57806On the Mechanism of Asymmetric Epoxidation of Enones Catalyzed by alpha,alpha-L-Diarylprolinols: A Theoretical Insight

	2012
	Articolo in rivista
	On the Mechanism of Asymmetric Epoxidation of Enones Catalyzed by alpha,alpha-L-Diarylprolinols: A Theoretical Insight ADVANCED SYNTHESIS & CATALYSIS. Vol. 354. Pag.2789-2796 ISSN:1615-4150.
	Capobianco, Amedeo; Alessio, Russo; Lattanzi, Alessandra; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1002/adsc.201200415 Codice identificativo ISI: WOS:000309907300028 Codice identificativo SCOPUS: 2-s2.0-84869034101
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43633Franck–Condon factors in curvilinear coordinates:the photoelectron spectrum of ammonia

	2012
	Articolo in rivista
	Franck–Condon factors in curvilinear coordinates:the photoelectron spectrum of ammonia THEORETICAL CHEMISTRY ACCOUNTS. Vol. 131. Pag.1-10 ISSN:1432-881X.
	Capobianco, Amedeo; R., Borrelli; Noce, Canio; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1007/s00214-012-1181-3 Codice identificativo ISI: WOS:000302295600044 Codice identificativo SCOPUS: 2-s2.0-84857469110
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57755A series of compounds forming polar crystals and showingsingle-crystal-to-single-crystal transitions between polar phases

	2012
	Articolo in rivista
	A series of compounds forming polar crystals and showingsingle-crystal-to-single-crystal transitions between polar phases CRYSTENGCOMM. Vol. 14. Pag.2645-2653 ISSN:1466-8033.
	Roberto, Centore; Mojca, Jazbinsek; Angela, Tuzi; Antonio, Roviello; Capobianco, Amedeo; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1039/c2ce06352b Codice identificativo ISI: WOS:000301735400006 Codice identificativo SCOPUS: 2-s2.0-84860296457
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57807Enantioselective conjugate addition of malononitrile to chalcones promoted by α,α-L-diaryl prolinols: Noncovalent versus covalent catalysis?

	2011
	Articolo in rivista
	Enantioselective conjugate addition of malononitrile to chalcones promoted by α,α-L-diaryl prolinols: Noncovalent versus covalent catalysis? EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. Pag.1922-1931 ISSN:1099-0690.
	Alessio, Russo; Capobianco, Amedeo; Alessandra, Perfetto; Lattanzi, Alessandra; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1002/ejoc.201001466 Codice identificativo ISI: WOS:000288611700014 Codice identificativo SCOPUS: 2-s2.0-79952924641
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36483The temperature dependence of radiationless transition rates from ab initio computations

	2011
	Articolo in rivista
	The temperature dependence of radiationless transition rates from ab initio computations PHYSICAL CHEMISTRY CHEMICAL PHYSICS. Vol. 13. Pag.4420-4426 ISSN:1463-9076.
	Borrelli, Raffaele; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1039/c0cp02307h
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40661The temperature dependence of radiationless transition rates from ab initio computations

	2011
	Articolo in rivista
	The temperature dependence of radiationless transition rates from ab initio computations PHYSICAL CHEMISTRY CHEMICAL PHYSICS. Vol. 13. Pag.4420-4426 ISSN:1463-9076.
	Raffaele, Borrelli; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1039/c0co02307h
	Show it in Product Database (IRIS)

36677Stacking Interactions in Oligonucleotides by Differential Pulse Voltammetry and Spectroelectrochemistry Measurements

	2011
	Contributo in Atti di convegno
	Stacking Interactions in Oligonucleotides by Differential Pulse Voltammetry and Spectroelectrochemistry Measurements. In: XXIV Congresso Nazionale della Società Chimica Italiana Lecce Coordinamento SIBA Pag.140-140 ISBN:9788883050855
	XXIV Congresso Nazionale SCI Lecce 11-16 settembre 2011
	Caruso, Tonino; Capobianco, Amedeo; Peluso, Andrea
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57752Competitive H-bonding synthons in organic hydrazides

	2010
	Articolo in rivista
	Competitive H-bonding synthons in organic hydrazides CRYSTENGCOMM. Vol. 12. Pag.1186-1193 ISSN:1466-8033.
	Roberto, Centore; Antonio, Carella; Angela, Tuzi; Capobianco, Amedeo; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1039/b910433j Codice identificativo ISI: WOS:000275933900031 Codice identificativo SCOPUS: 2-s2.0-77949792101
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44974Towards "ab-initio" Computations of Electron Transfer Rates: the Early Electron Transfer Steps in Bacterial Photosynthetic Reaction Centers

	2010
	Articolo in rivista
	Towards "ab-initio" Computations of Electron Transfer Rates: the Early Electron Transfer Steps in Bacterial Photosynthetic Reaction Centers CURRENT ORGANIC CHEMISTRY. Vol. 14. Pag.90-105 ISSN:1385-2728.
	Peluso, Andrea
	Digital Object Identifier (DOI): 10.2174/138527210790069811 Codice identificativo ISI: WOS:000272765600002 Codice identificativo SCOPUS: 2-s2.0-77949391054
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30315Competitive H-bonding synthons in organic hydrazides

	2010
	Articolo in rivista
	Competitive H-bonding synthons in organic hydrazides CRYSTENGCOMM. Vol. 12. Pag.1186-1193 ISSN:1466-8033.
	Centore, R; Carella, A; Tuzi, A; Capobianco, Amedeo; Peluso, Andrea
	Show it in Product Database (IRIS)

33089The charge transfer band of oxidized Watson-Crick guanosine-cytidine complex

	2010
	Contributo in Atti di convegno
	The charge transfer band of oxidized Watson-Crick guanosine-cytidine complex. In: 12th Euchem Conference on Organic Free Radical Aracne Editore Vol.I, Pag.42-42 ISBN:9788854833142
	12th Euchem Conference on Organic Free Radical Bologna 28-2 July, 2010
	Peluso, Andrea; Caruso, Tonino; Capobianco, Amedeo
	Codice identificativo ISI: WOS:000272761900026
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57750Push–Pull Azo-Chromophores Containing Two Fused Pentatomic Heterocyclesand Their Nonlinear Optical Properties

	2009
	Articolo in rivista
	Push–Pull Azo-Chromophores Containing Two Fused Pentatomic Heterocyclesand Their Nonlinear Optical Properties EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. Pag.3535-3543 ISSN:1099-0690.
	Roberto, Centore; Sandra, Fusco; Peluso, Andrea; Capobianco, Amedeo; Matthias, Stolte; Graziano, Archetti; Hans Georg, Kuball
	Digital Object Identifier (DOI): 10.1002/ejoc.200900218 Codice identificativo ISI: WOS:000268560700007 Codice identificativo SCOPUS: 2-s2.0-67650699618
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29166Photoelectron Spectrum of Ammonia, a Test Case for the Calculation of Franck−Condon Factors in Molecules Undergoing Large Geometrical Displacements upon Photoionization

	2009
	Articolo in rivista
	Photoelectron Spectrum of Ammonia, a Test Case for the Calculation of Franck−Condon Factors in Molecules Undergoing Large Geometrical Displacements upon Photoionization JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. Vol. 113. Pag.14831-14837 ISSN:1089-5639.
	Peluso, Andrea; Borrelli, Raffaele; Capobianco, Amedeo
	Digital Object Identifier (DOI): 10.1021/jp905004z Codice identificativo ISI: WOS:000273263700083 Codice identificativo SCOPUS: 2-s2.0-73949157590
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57753The Charge-Transfer Band of an Oxidized Watson–Crick Guanosine–Cytidine Complex

	2009
	Articolo in rivista
	The Charge-Transfer Band of an Oxidized Watson–Crick Guanosine–Cytidine Complex ANGEWANDTE CHEMIE. INTERNATIONAL EDITION. Vol. 48. Pag.9526-9528 ISSN:1433-7851.
	Capobianco, Amedeo; Carotenuto, Maurizio; Caruso, Tonino; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1002/anie.200904305 Codice identificativo ISI: WOS:000272761900026 Codice identificativo SCOPUS: 2-s2.0-73249122017
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27558Push-Pull Azo-Chromophores Containing Two Fused Pentatomic Heterocycles and Their Nonlinear Optical Properties

	2009
	Articolo in rivista
	Push-Pull Azo-Chromophores Containing Two Fused Pentatomic Heterocycles and Their Nonlinear Optical Properties EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. Vol. 21. Pag.3535-3543 ISSN:1434-193X.
	Centore, R; Fusco, S; Peluso, Andrea; Capobianco, Amedeo; Stolte, M; Archetti, G; Kuball, H. G.
	Show it in Product Database (IRIS)

27557On the influence of unsaturation on the macrolactonization of hydroxy fatty acids

	2009
	Articolo in rivista
	On the influence of unsaturation on the macrolactonization of hydroxy fatty acids JOURNAL OF PHYSICAL ORGANIC CHEMISTRY. Vol. 22. Pag.978-985 ISSN:0894-3230.
	Caruso, Tonino; Donnamaria, C; Artillo, A; Peluso, Andrea; Spinella, Aldo; Monaco, Guglielmo
	Codice identificativo ISI: WOS:000270421800010 Codice identificativo SCOPUS: 2-s2.0-70349584968
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57855The charge transfer band of oxidized Watson-Crick guanosine-cytidine complex

	2009
	Poster
	The charge transfer band of oxidized Watson-Crick guanosine-cytidine complex. In: Molecular Properties '09 Bridging the gap between theory and experiment Oslo Zhul Pag.143-144
	A satellite symposium of 13th International Congress of Quantum Chemistry Oslo 22-27 June 2009
	Capobianco, Amedeo; Caruso, Tonino; Peluso, Andrea
	Show it in Product Database (IRIS)

57828The electron photodetachment spectrum of c- C4 F8-: A test case for the computation of Franck-Condon factors of highly flexible molecules

	2008
	Articolo in rivista
	The electron photodetachment spectrum of c- C4 F8-: A test case for the computation of Franck-Condon factors of highly flexible molecules THE JOURNAL OF CHEMICAL PHYSICS. Vol. 128, Issue 4, 2008, Article number 044303. Pag.044303-044309 ISSN:0021-9606.
	Raffaele, Borrelli; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1063/1.2819061 Codice identificativo ISI: WOS:000252821200026 Codice identificativo SCOPUS: 2-s2.0-38849086801
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23281The electron photodetachment spectrum of c-C4F8-: A test case for the computation of Franck-Condon factors of highly flexible molecules

	2008
	Articolo in rivista
	The electron photodetachment spectrum of c-C4F8-: A test case for the computation of Franck-Condon factors of highly flexible molecules THE JOURNAL OF CHEMICAL PHYSICS. Vol. 128. Pag.44303-44310 ISSN:0021-9606.
	Borrelli, Raffaele; Peluso, Andrea
	Show it in Product Database (IRIS)

22362Strong overcrowding in dimethyl 2-(dimethylamino)terephthalate

	2008
	Articolo in rivista
	Strong overcrowding in dimethyl 2-(dimethylamino)terephthalate ACTA CRYSTALLOGRAPHICA. SECTION C, CRYSTAL STRUCTURE COMMUNICATIONS. Vol. 64. Pag.o420-o422 ISSN:0108-2701.
	R., Centore; S., Fusco; Peluso, Andrea; Carotenuto, Maurizio; A., Tuzi
	Digital Object Identifier (DOI): 10.1107/S0108270108020003 Codice identificativo ISI: WOS:000258131400017 Codice identificativo SCOPUS: 2-s2.0-49149112647
	Show it in Product Database (IRIS)

23280Perturbative calculation of Franck-Condon integrals: New hints for a rational implementation

	2008
	Articolo in rivista
	Perturbative calculation of Franck-Condon integrals: New hints for a rational implementation THE JOURNAL OF CHEMICAL PHYSICS. Vol. 129. Pag.64116-64122 ISSN:0021-9606.
	Borrelli, Raffaele; Peluso, Andrea
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57832Perturbative calculation of Franck-Condon integrals: New hints for a rational implementation

	2008
	Articolo in rivista
	Perturbative calculation of Franck-Condon integrals: New hints for a rational implementation THE JOURNAL OF CHEMICAL PHYSICS. Vol. 129. Pag.064116-064122 ISSN:0021-9606.
	Raffaele, Borrelli; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1063/1.2967183 Codice identificativo ISI: WOS:000258490600017 Codice identificativo SCOPUS: 2-s2.0-49749140411
	Show it in Product Database (IRIS)

21083Studio spettroelettrochimico delle basi del DNA in ambiente apolare

	2008
	Contributo in Atti di convegno
	Studio spettroelettrochimico delle basi del DNA in ambiente apolare. In: XXI Convegno nazionale della Divisione di Chimica analitica della Società chimica italiana COSENZA Klipper editore Vol.1, Pag.101-101 ISBN:9788888823759
	Il ruolo della Chimica analitica nella tutela della salute Arcavacata di Rende 21-25 settembre 2008
	Caruso, Tonino; Capobianco, Amedeo; Peluso, Andrea; Rosanna, Viscardi
	Show it in Product Database (IRIS)

18946Quantum dynamics of electron transfer from bacteriochlorophyll to pheophytin in bacterial reaction centers.

	2007
	Articolo in rivista
	Quantum dynamics of electron transfer from bacteriochlorophyll to pheophytin in bacterial reaction centers. JOURNAL OF CHEMICAL THEORY AND COMPUTATION. Vol. 3. Pag.673-680 ISSN:1549-9618.
	Borrelli, Raffaele; M., DI DONATO; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1021/ct6003802 Codice identificativo SCOPUS: 2-s2.0-36148948174
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18945Different nonlinear optical performances of polymers containing benzimidazole chromophores

	2007
	Articolo in rivista
	Different nonlinear optical performances of polymers containing benzimidazole chromophores OPTICAL MATERIALS. Vol. 30. Pag.473-477 ISSN:0925-3467.
	A., Carella; M., Casalboni; R., Centore; S., Fusco; Noce, Canio; A., Quatela; Peluso, Andrea; A., Sirigu
	Digital Object Identifier (DOI): 10.1016/j.optmat.2006.12.006 Codice identificativo ISI: WOS:000250629500021 Codice identificativo SCOPUS: 2-s2.0-34948857923
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18947Electron transfer rates and Franck-Condon factors: an application to the early electron transfer steps in photosynthetic reaction centers

	2007
	Articolo in rivista
	Electron transfer rates and Franck-Condon factors: an application to the early electron transfer steps in photosynthetic reaction centers THEORETICAL CHEMISTRY ACCOUNTS. Vol. 117. Pag.957-967 ISSN:1432-881X.
	Borrelli, Raffaele; M., DI DONATO; Peluso, Andrea
	Show it in Product Database (IRIS)

18948The oxidation potential of adenosine and adenosine-thymidine base pair in chloroform solution

	2007
	Articolo in rivista
	The oxidation potential of adenosine and adenosine-thymidine base pair in chloroform solution JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. Vol. 129. Pag.15347-15353 ISSN:0002-7863.
	Caruso, Tonino; Capobianco, Amedeo; Peluso, Andrea
	Versione online
	Digital Object Identifier (DOI): 10.1021/ja076181n Codice identificativo ISI: WOS:000251477400048 Codice identificativo SCOPUS: 2-s2.0-84961979415
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15358The vibrational progression of the NV electronic transition of ethylene: a test case for the computation of Franck-Condon factors of highly flexible photoexcited molecules

	2006
	Articolo in rivista
	The vibrational progression of the NV electronic transition of ethylene: a test case for the computation of Franck-Condon factors of highly flexible photoexcited molecules THE JOURNAL OF CHEMICAL PHYSICS. Vol. 125. Pag.194308-194316 ISSN:0021-9606.
	Borrelli, Raffaele; Peluso, Andrea
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40757The vibrational progressions of the N\V electronic transition of ethylene:A test case for the computation of Franck-Condon factors of highlyflexible photoexcited molecules

	2006
	Articolo in rivista
	The vibrational progressions of the N\V electronic transition of ethylene:A test case for the computation of Franck-Condon factors of highlyflexible photoexcited molecules THE JOURNAL OF CHEMICAL PHYSICS. Pag.194308-1-194308-8 ISSN:0021-9606.
	Raffaele, Borrelli; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1063/1.2388269
	Show it in Product Database (IRIS)

15607Calcolo di integrali di Franck-Condon e loro utilizzo nello studio delle transizioni elettroniche

	2006
	Contributo in Atti di convegno
	Calcolo di integrali di Franck-Condon e loro utilizzo nello studio delle transizioni elettroniche. Pag.83-83
	XXII Congresso Nazionale della Societa' Chimica Italiana SCI2006 Firenze 10-15 settembre 2006
	Borrelli, R; Peluso, Andrea
	Show it in Product Database (IRIS)

6595Role of intramolecular vibrations in long range electron transfer between pheophytin and ubiquinone in bacterial photosynthetic reaction centers

	2005
	Articolo in rivista
	Role of intramolecular vibrations in long range electron transfer between pheophytin and ubiquinone in bacterial photosynthetic reaction centers BIOPHYSICAL JOURNAL. Vol. 89. Pag.830-841 ISSN:0006-3495.
	Borrelli, Raffaele; M., DI DONATO; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1529/biophysj.105060574
	Show it in Product Database (IRIS)

6597Intramolecular reorganization energies and Franck–Condon integrals for ET from pheophytin to quinone in bacterial photosynthetic reaction centers

	2005
	Articolo in rivista
	Intramolecular reorganization energies and Franck–Condon integrals for ET from pheophytin to quinone in bacterial photosynthetic reaction centers CHEMICAL PHYSICS LETTERS. Vol. 413. Pag.210-215 ISSN:0009-2614.
	Borrelli, Raffaele; M., DI DONATO; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1016/j.cplett.2005.07.095
	Show it in Product Database (IRIS)

3176Direct experimental observation of the effect of the base pairing on the oxidation potential of guanine

	2005
	Articolo in rivista
	Direct experimental observation of the effect of the base pairing on the oxidation potential of guanine JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. Vol. 127. Pag.15040-15041 ISSN:0002-7863.
	Caruso, Tonino; Carotenuto, Maurizio; Vasca, Ermanno; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1021/ja055130s Codice identificativo ISI: WOS:000232933900044 Codice identificativo SCOPUS: 2-s2.0-84961981076
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12098Total synthesis of ichthyotoxic macrolides from the skin of the marine mollusk Aplysia depilans

	2004
	Articolo in rivista
	Total synthesis of ichthyotoxic macrolides from the skin of the marine mollusk Aplysia depilans PHYTOCHEMISTRY REVIEWS. Vol. 3. Pag.417-422 ISSN:1568-7767.
	Bruno, G; Caruso, Tonino; Peluso, Andrea; Spinella, Aldo
	Digital Object Identifier (DOI): 10.1007/s11101-004-6147-1 Codice identificativo SCOPUS: 2-s2.0-18144388264
	Show it in Product Database (IRIS)

6599ELECTRON TRANSFER BETWEEN QUINONES IN PHOTOSYNTHETIC REACTION CENTERS

	2004
	Articolo in rivista
	ELECTRON TRANSFER BETWEEN QUINONES IN PHOTOSYNTHETIC REACTION CENTERS JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. Vol. 108. Pag.3068-3077 ISSN:1520-6106.
	M., DI DONATO; G., Villani; Peluso, Andrea
	Show it in Product Database (IRIS)

6600A possible role of histidine residues in long range electron transfer in proteins

	2004
	Articolo in rivista
	A possible role of histidine residues in long range electron transfer in proteins THEORETICAL CHEMISTRY ACCOUNTS. Vol. 111. Pag.303-310 ISSN:1432-881X.
	M., DI DONATO; Peluso, Andrea
	Show it in Product Database (IRIS)

7098The photophysics of free-base hemiporphyrazine: a theoretical study

	2004
	Articolo in rivista
	The photophysics of free-base hemiporphyrazine: a theoretical study JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. Vol. 108. Pag.3926-3931 ISSN:1089-5639.
	Persico, Verdiana; Carotenuto, Maurizio; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1021/jp037736d Codice identificativo ISI: WOS:000221137600007 Codice identificativo SCOPUS: 2-s2.0-2442695352
	Show it in Product Database (IRIS)

18208Temperature regiocontrol of intramolecular cyclization of di-hydroxysecoacids

	2004
	Articolo in rivista
	Temperature regiocontrol of intramolecular cyclization of di-hydroxysecoacids ORGANIC & BIOMOLECULAR CHEMISTRY. Vol. 2. Pag.3425-3426 ISSN:1477-0520.
	Caruso, Tonino; Monaco, Guglielmo; Peluso, Andrea; Spinella, Aldo
	Codice identificativo ISI: WOS:000225335900002 Codice identificativo SCOPUS: 2-s2.0-10644239268
	Show it in Product Database (IRIS)

6598Tuning second-order nonlinearities in push-pullbenzimidazoles

	2004
	Articolo in rivista
	Tuning second-order nonlinearities in push-pullbenzimidazoles EUROPEAN JOURNAL OF ORGANIC CHEMISTRY. Vol. 12. Pag.2620-2626 ISSN:1434-193X.
	Carella, A.; Centore, R.; Fort, A.; Peluso, Andrea; Sirigu, A.; Tuzi, A.
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12012Dynamics of electron transfer steps in photosynthetic reaction centers

	2004
	Contributo in Atti di convegno
	Dynamics of electron transfer steps in photosynthetic reaction centers. Pag.P79-P79
	XXXIII Congresso SCI divisione Chimica Fisica Napoli 21-25 giugno 2004
	Peluso, Andrea; Peluso, A.
	Show it in Product Database (IRIS)

8911Dynamics of Electron Transfer inBacterial Photosynthetic Reaction Centers

	2004
	Contributo in Atti di convegno
	Dynamics of Electron Transfer inBacterial Photosynthetic Reaction Centers. QUEBEC Carpentier Pag.224-226
	13th InternationalCongress of Phostosynthesis Montreal 29 agosto 3 settembre 2004
	Peluso, Andrea; Peluso, A.
	Show it in Product Database (IRIS)

12011Temperature regiocontrol of the intramolecular cyclizationof di-hydroxysecoacids

	2004
	Contributo in Atti di convegno
	Temperature regiocontrol of the intramolecular cyclizationof di-hydroxysecoacids. In: XXXIII Congresso Nazionale SCI Divisione di Chimica Fisica società chimica italiana Pag.21-21 ISBN:978-0-08-021242-5
	XXXIIII Congresso Nazionale SCI divisione Chimica-Fisica Napoli 21-25 giugno 2004
	Caruso, Tonino; Monaco, G; Peluso, Andrea; Spinella, Aldo
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6602Dynamics of radiationless transitions in large molecular systems: a Franck-Condon based method accounting for displacement and rotation of all the normal coordinates

	2003
	Articolo in rivista
	Dynamics of radiationless transitions in large molecular systems: a Franck-Condon based method accounting for displacement and rotation of all the normal coordinates THE JOURNAL OF CHEMICAL PHYSICS. Vol. 119. Pag.8437-8448 ISSN:0021-9606.
	Borrelli, Raffaele; Peluso, Andrea
	Show it in Product Database (IRIS)

6601The role of the iron histidine bridge in the early step of photosynthesis

	2003
	Articolo in rivista
	The role of the iron histidine bridge in the early step of photosynthesis CHEMICAL PHYSICS LETTERS. Vol. 369. Pag.549-555 ISSN:0009-2614.
	M., DI DONATO; A., Correa; Peluso, Andrea
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12110Total synthesis of Ichthyotoxic macrolides from the skin of the marine mollusc Aplysia depilans

	2003
	Contributo in Atti di convegno
	Total synthesis of Ichthyotoxic macrolides from the skin of the marine mollusc Aplysia depilans. In: International Symposium on the Chemistry and Biology of Marine Organism ISCBMO Pag.32-32 ISBN:978-0-08-021242-5
	International Symposium on the Chemistry and Biology of Marine Organism - Kolympari, Crete 21-26 set Creta (Grecia) 21-26 settembre 2003
	Bruno, G; Caruso, Tonino; Peluso, Andrea; Spinella, Aldo
	Show it in Product Database (IRIS)

8921Meccanismo di trasferimento elettronico tra i chinoni nei centri di reazione fotosintetici

	2003
	Contributo in Atti di convegno
	Meccanismo di trasferimento elettronico tra i chinoni nei centri di reazione fotosintetici. Pag.c21-c21
	GICC2003 - Siena 18-19 dicembre
	Peluso, Andrea; Peluso, A.
	Show it in Product Database (IRIS)

8751Structure and electronic properties of extended chromophores for application in second order non linear optics

	2002
	Articolo in rivista
	Structure and electronic properties of extended chromophores for application in second order non linear optics STRUCTURAL CHEMISTRY. Vol. 13. Pag.27-36 ISSN:1040-0400.
	Castaldo, A; Centore, R; Peluso, Andrea; Sirigu, A; Tuzi, A.
	Show it in Product Database (IRIS)

6603Excited state intramolecular proton transfer in free base hemiporphyrazine

	2002
	Articolo in rivista
	Excited state intramolecular proton transfer in free base hemiporphyrazine CHEMICAL PHYSICS LETTERS. Vol. 354. Pag.160-164 ISSN:0009-2614.
	Altucci, C.; Borrelli, Raffaele; DE LISIO, C.; DE RICCARDIS, Francesco; Persico, Verdiana; Porzio, A.; Peluso, Andrea
	Codice identificativo ISI: WOS:000174628600025 Codice identificativo SCOPUS: 2-s2.0-0037022875
	Show it in Product Database (IRIS)

6604A simple method for estimating activation energies of proton transfer reactions

	2002
	Articolo in rivista
	A simple method for estimating activation energies of proton transfer reactions JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. Vol. 106. Pag.7017-7025 ISSN:1089-5639.
	D., Alfano; Borrelli, Raffaele; Peluso, Andrea
	Show it in Product Database (IRIS)

12018Electron Transfer between quinone in photosynthetic reaction centers

	2002
	Contributo in Atti di convegno
	Electron Transfer between quinone in photosynthetic reaction centers. In: STC2002 BREMA Pag.c2-c2
	38th Symposium for theoretical chemistry Brema 25 -29 agosto 2002
	Peluso, Andrea; Peluso, A.
	Show it in Product Database (IRIS)

8926A simple method for estimating activation energies of proton transfer reactions

	2002
	Contributo in Atti di convegno
	A simple method for estimating activation energies of proton transfer reactions. Pag.98-98
	Societa Chimica Italiana Divisione Chimica Fisica Ferrara giugno 2002
	Alfano, D; Peluso, Andrea
	Show it in Product Database (IRIS)

6745Electron Transfer in Aromatic Nitration

	2001
	Contributo in Atti di convegno
	Electron Transfer in Aromatic Nitration. Pag.70-70
	Tulip Graduate School, Modern Developments in Spectroscopy Nordwijk 1/5/2001
	Borrelli, Raffaele; Peluso, Andrea; A., Peluso
	Show it in Product Database (IRIS)

12072Theoretical and Spectroscopic study of non-radiative decay in Hemiporphyrazine

	2001
	Contributo in Atti di convegno
	Theoretical and Spectroscopic study of non-radiative decay in Hemiporphyrazine. Pag.98-98
	STC2001, 37th symposium for theoretical chemistry Bad-Herrenhalb (D) 23, settembre 2001
	Borrelli, Raffaele; Peluso, Andrea; Peluso, A.
	Show it in Product Database (IRIS)

45773Polymerization mechanism of conjugated dienes in the presence of Ziegler-Natta type catalysts: Theoretical study of butadiene and isoprene polymerization with CpTiCl3-MAO initiator

	2000
	Articolo in rivista
	Polymerization mechanism of conjugated dienes in the presence of Ziegler-Natta type catalysts: Theoretical study of butadiene and isoprene polymerization with CpTiCl3-MAO initiator ORGANOMETALLICS. Vol. 19. Pag.411-419 ISSN:0276-7333.
	Peluso, Andrea; R., Improta; A., Zambelli
	Digital Object Identifier (DOI): 10.1021/om980940g Codice identificativo ISI: WOS:000085450800008
	Show it in Product Database (IRIS)

45771A plausible mechanism of electron transfer between quinones in photosynthetic reaction centers

	2000
	Articolo in rivista
	A plausible mechanism of electron transfer between quinones in photosynthetic reaction centers JOURNAL OF THEORETICAL BIOLOGY. Vol. 207. Pag.101-105 ISSN:0022-5193.
	Peluso, Andrea; M. D., Donato; R., Improta; G. A., A.
	Digital Object Identifier (DOI): 10.1006/jtbi.2000.2159 Codice identificativo ISI: WOS:000090066000008
	Show it in Product Database (IRIS)

8733The polymerization mechanism of conjugated dienes in the presence of Ziegler Natta type catalysts: theoretical study of butadiene and isoprene polymerization with CpTiCl3-MAO initiator

	2000
	Articolo in rivista
	The polymerization mechanism of conjugated dienes in the presence of Ziegler Natta type catalysts: theoretical study of butadiene and isoprene polymerization with CpTiCl3-MAO initiator ORGANOMETALLICS. Vol. 19. Pag.411-419 ISSN:0276-7333.
	Peluso, Andrea; Improta, R.; Zambelli, A.
	Show it in Product Database (IRIS)

8772Proton Assisted Electron Transfer

	2000
	Articolo in rivista
	Proton Assisted Electron Transfer ADVANCES IN QUANTUM CHEMISTRY. Vol. 36. Pag.301-322 ISSN:0065-3276.
	Peluso, Andrea; Borrelli, R; Capobianco, A; Monaco, Guglielmo; Brahimi, M; Peluso, A.
	Digital Object Identifier (DOI): 10.1016/S0065-3276(08)60489-X Codice identificativo ISI: WOS:000088792800034 Codice identificativo SCOPUS: 2-s2.0-0000258463
	Show it in Product Database (IRIS)

8728The occurence of ET in aromatic nitration; dynamical aspects.

	2000
	Articolo in rivista
	The occurence of ET in aromatic nitration; dynamical aspects. THEORETICAL CHEMISTRY ACCOUNTS. Vol. 104. Pag.218-222 ISSN:1432-881X.
	Albunia, A. R.; Borrelli, R.; Peluso, Andrea
	Show it in Product Database (IRIS)

12224The occurrence of electron transfer in aromatic nitration

	2000
	Articolo in rivista
	The occurrence of electron transfer in aromatic nitration THEORETICAL CHEMISTRY ACCOUNTS. Vol. 104. Pag.218-226 ISSN:1432-881X.
	Albunia, Alexandra Romina; Borrelli, Raffaele; Peluso, Andrea
	Show it in Product Database (IRIS)

8730A plausible mechanism of electron transfer in photosynthetic reaction centers

	2000
	Articolo in rivista
	A plausible mechanism of electron transfer in photosynthetic reaction centers JOURNAL OF THEORETICAL BIOLOGY. Vol. 207. Pag.101-101 ISSN:0022-5193.
	Peluso, Andrea; DI DONATO, M.; Saracino, G.; Improta, R.
	Show it in Product Database (IRIS)

8731An alternative way of thinking about electron transfer in proteins: Proton assisted electron transfer between the primary and secondary quinones in photosynthetic reaction centers

	2000
	Articolo in rivista
	An alternative way of thinking about electron transfer in proteins: Proton assisted electron transfer between the primary and secondary quinones in photosynthetic reaction centers THE JOURNAL OF CHEMICAL PHYSICS. Vol. 113. Pag.3212-3218 ISSN:0021-9606.
	Peluso, Andrea; DI DONATO, M.; Saracino, G. A. A.
	Show it in Product Database (IRIS)

45772The occurrence of electron transfer in aromatic nitration: dynamical aspects

	2000
	Articolo in rivista
	The occurrence of electron transfer in aromatic nitration: dynamical aspects THEORETICAL CHEMISTRY ACCOUNTS. Vol. 104. Pag.218-222 ISSN:1432-881X.
	A. R., Albunia; R., Borrelli; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1007/s002140000141 Codice identificativo ISI: WOS:000088616100011
	Show it in Product Database (IRIS)

8734The influence of back-biting interractions in the polymerization of conjugated dienes in the presence of Ziegler-Natta catalysts

	1999
	Articolo in rivista
	The influence of back-biting interractions in the polymerization of conjugated dienes in the presence of Ziegler-Natta catalysts MACROMOLECULES. Vol. 32. Pag.6852-6855 ISSN:0024-9297.
	Improta, R.; Peluso, Andrea
	Show it in Product Database (IRIS)

45775The influence of back-biting interaction oil the polymerization of conjugated dienes in the presence of Ziegler-Natta catalysts

	1999
	Articolo in rivista
	The influence of back-biting interaction oil the polymerization of conjugated dienes in the presence of Ziegler-Natta catalysts MACROMOLECULES. Vol. 32. Pag.6852-6855 ISSN:0024-9297.
	R., Improta; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1021/ma981866g Codice identificativo ISI: WOS:000083003300060
	Show it in Product Database (IRIS)

8736A model for proton assisted electron transfer

	1999
	Articolo in rivista
	A model for proton assisted electron transfer CHEMICAL PHYSICS LETTERS. Vol. 299. Pag.511-511 ISSN:0009-2614.
	Peluso, Andrea; Brahimi, M.; DEL RE, G.
	Show it in Product Database (IRIS)

45777Proton assisted electron transfer

	1999
	Articolo in rivista
	Proton assisted electron transfer ADVANCES IN QUANTUM CHEMISTRY. Vol. 36. Pag.301-322 ISSN:0065-3276.
	M. D., Donato; R., Borrelli; A., Capobianco; G., Monaco; R., Improta; M., Brahimi; Peluso, Andrea
	Codice identificativo ISI: WOS:000085324000014
	Show it in Product Database (IRIS)

8737Neutral-mixed valence organic radicals

	1999
	Articolo in rivista
	Neutral-mixed valence organic radicals CHEMICAL PHYSICS LETTERS. Vol. 313. Pag.582-582 ISSN:0009-2614.
	Rassat, A.; DEL RE, G.; Peluso, Andrea
	Show it in Product Database (IRIS)

45776A model for proton-assisted electron transfer

	1999
	Articolo in rivista
	A model for proton-assisted electron transfer CHEMICAL PHYSICS LETTERS. Vol. 299. Pag.511-517 ISSN:0009-2614.
	G. D., Re; M., Brahimi; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1016/S0009-2614(98)01248-2 Codice identificativo ISI: WOS:000078150400022
	Show it in Product Database (IRIS)

45774Neutral mixed-valence organic monoradicals

	1999
	Articolo in rivista
	Neutral mixed-valence organic monoradicals CHEMICAL PHYSICS LETTERS. Vol. 313. Pag.582-586 ISSN:0009-2614.
	A., Rassat; G. D., Re; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1016/S0009-2614(99)01105-7 Codice identificativo ISI: WOS:000083977700029
	Show it in Product Database (IRIS)

12016The mechenism of diene polymerization by Ziegler Natta type catalyst: a theoretical study.

	1999
	Contributo in Atti di convegno
	The mechenism of diene polymerization by Ziegler Natta type catalyst: a theoretical study.. Pag.C27-C27
	Atti dell'AIM '99, Salerno.
	Peluso, Andrea; Zambelli, A.
	Show it in Product Database (IRIS)

8938Electron transfer in photosynthetic reaction centers. Verso la complessità molecolare: modelli per la dinamica dei processi reattivi, Varenna.

	1999
	Contributo in Atti di convegno
	Electron transfer in photosynthetic reaction centers. Verso la complessità molecolare: modelli per la dinamica dei processi reattivi, Varenna.. Pag.15-15
	Peluso, Andrea
	Show it in Product Database (IRIS)

12040Possibile coinvolgimento di uno stadio di trasferimento elettronico nella nitrazione aromatica.

	1999
	Contributo in Atti di convegno
	Possibile coinvolgimento di uno stadio di trasferimento elettronico nella nitrazione aromatica.. Pag.15-15
	Atti del XXX Congresso Internazionale dei Chimici teorici di Espressione Latina, Napoli. NAPOLI
	Albunia, A; Borrelli, Raffaele; Peluso, Andrea
	Show it in Product Database (IRIS)

12041Trasferimento elettronico assistito da protoni in centri fotosintetici.

	1999
	Contributo in Atti di convegno
	Trasferimento elettronico assistito da protoni in centri fotosintetici.. Pag.P35-P35
	Atti del XXV Congresso Internazionale dei Chimici teorici di Espressione Latina, Napoli. Napoli
	Peluso, Andrea; Peluso, A.
	Show it in Product Database (IRIS)

45779PM3 study of the electronic spectra of some substituted aminocoumarins

	1998
	Articolo in rivista
	PM3 study of the electronic spectra of some substituted aminocoumarins JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM. Vol. 426. Pag.145-153 ISSN:0166-1280.
	C., Garzillo; R., Improta; Peluso, Andrea
	Codice identificativo ISI: WOS:000072842100017
	Show it in Product Database (IRIS)

8782PM3 study of the electronic spectra of some substituted aminocoumarins

	1998
	Articolo in rivista
	PM3 study of the electronic spectra of some substituted aminocoumarins JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM. Vol. 426. Pag.145-153 ISSN:0166-1280.
	Garzillo, C; Improta, R; Peluso, Andrea
	Show it in Product Database (IRIS)

7100Proton assisted electron transfer

	1998
	Articolo in rivista
	Proton assisted electron transfer JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. Vol. 102. Pag.10333-10339 ISSN:1089-5639.
	Peluso, Andrea; M., Brahimi; Carotenuto, Maurizio; G., DEL RE
	Codice identificativo ISI: WOS:000077543700019 Codice identificativo SCOPUS: 2-s2.0-0011743940
	Show it in Product Database (IRIS)

45778Proton-assisted electron transfer

	1998
	Articolo in rivista
	Proton-assisted electron transfer JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. Vol. 102. Pag.10333-10339 ISSN:1089-5639.
	Peluso, Andrea; M., Brahimi; Carotenuto, Maurizio; G. D., Re
	Digital Object Identifier (DOI): 10.1021/jp981845o Codice identificativo ISI: WOS:000077543700019
	Show it in Product Database (IRIS)

45780The mechanism of Ziegler-Natta polymerization of 4-methyl-1,3-pentadiene: a theoretical study of the coordination step

	1998
	Articolo in rivista
	The mechanism of Ziegler-Natta polymerization of 4-methyl-1,3-pentadiene: a theoretical study of the coordination step JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM. Vol. 426. Pag.249-255 ISSN:0166-1280.
	R., Improta; C., Garzillo; Peluso, Andrea
	Codice identificativo ISI: WOS:000072842100029
	Show it in Product Database (IRIS)

8738PROTON ASSISTED ELECTRON TRANSFER

	1998
	Articolo in rivista
	PROTON ASSISTED ELECTRON TRANSFER THE JOURNAL OF PHYSICAL CHEMISTRY. Vol. 102. Pag.10333-10333 ISSN:0022-3654.
	Peluso, Andrea; Brahimi, M.; Carotenuto, M.; DEL RE, G.
	Show it in Product Database (IRIS)

8783The mechanism of Ziegler-Natta polymerizatuion of 4-methyl-1,3pentadiene:a theoretical study

	1998
	Articolo in rivista
	The mechanism of Ziegler-Natta polymerizatuion of 4-methyl-1,3pentadiene:a theoretical study JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM. Vol. 426. Pag.249-255 ISSN:0166-1280.
	Improta, R; Garzillo, C; Peluso, Andrea
	Show it in Product Database (IRIS)

45782On the electronic states of macrocycles of the extended porphyrin family and their coordination compounds

	1997
	Articolo in rivista
	On the electronic states of macrocycles of the extended porphyrin family and their coordination compounds JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM. Vol. 390. Pag.101-107 ISSN:0166-1280.
	M., Bossa; E., Cervone; C., Garzillo; Peluso, Andrea
	Codice identificativo ISI: WOS:A1997WT89000013
	Show it in Product Database (IRIS)

45781Mechanism of isoprene and butadiene polymerization in the presence of CpTiCl3-MAO initiator: A theoretical study

	1997
	Articolo in rivista
	Mechanism of isoprene and butadiene polymerization in the presence of CpTiCl3-MAO initiator: A theoretical study MACROMOLECULES. Vol. 30. Pag.2219-2227 ISSN:0024-9297.
	Peluso, Andrea; R., Improta; A., Zambelli
	Digital Object Identifier (DOI): 10.1021/ma960957f Codice identificativo ISI: WOS:A1997WV57400001
	Show it in Product Database (IRIS)

45784Radiationless decay via ESIPT of the first excited singlet of the hemiporphyrazine

	1996
	Articolo in rivista
	Radiationless decay via ESIPT of the first excited singlet of the hemiporphyrazine CHEMICAL PHYSICS. Vol. 204. Pag.347-351 ISSN:0301-0104.
	Peluso, Andrea; C., Garzillo; G., Delre
	Digital Object Identifier (DOI): 10.1016/0301-0104(95)00416-5 Codice identificativo ISI: WOS:A1996UD54300020
	Show it in Product Database (IRIS)

45785On the occurrence of an electron-transfer step in aromatic nitration

	1996
	Articolo in rivista
	On the occurrence of an electron-transfer step in aromatic nitration THE JOURNAL OF PHYSICAL CHEMISTRY. Vol. 100. Pag.5303-5309 ISSN:0022-3654.
	Peluso, Andrea; G., Delre
	Digital Object Identifier (DOI): 10.1021/jp9530156 Codice identificativo ISI: WOS:A1996UC39800023
	Show it in Product Database (IRIS)

45783On the protonation of the guanidine arm of cimetidine: A theoretical study

	1996
	Articolo in rivista
	On the protonation of the guanidine arm of cimetidine: A theoretical study GAZZETTA CHIMICA ITALIANA. Vol. 126. Pag.521-527 ISSN:0016-5603.
	G., Delre; M., Brahimi; O., Ouamerali; Peluso, Andrea
	Codice identificativo ISI: WOS:A1996VB55300006
	Show it in Product Database (IRIS)

52898Chemical effects and surface properties: The nature of an adsorbed complex

	1994
	Articolo in rivista
	Chemical effects and surface properties: The nature of an adsorbed complex INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. Vol. 49. Pag.429-448 ISSN:0020-7608.
	Giuseppe Del, Re; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1002/qua.560490409
	Show it in Product Database (IRIS)

45786A Novel Eta-7 Coordination Mode of A Benzyl Ligand In A Cationic Zirconium Complex

	1994
	Articolo in rivista
	A Novel Eta-7 Coordination Mode of A Benzyl Ligand In A Cationic Zirconium Complex ORGANOMETALLICS. Vol. 13. Pag.3773-3775 ISSN:0276-7333.
	Pellecchia, Claudio; A., Immirzi; Pappalardo, Daniela; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1021/om00022a009 Codice identificativo ISI: WOS:A1994PL51000009
	Show it in Product Database (IRIS)

45787Chemical Effects and Surface-properties - the Nature of An Adsorbed Complex

	1994
	Articolo in rivista
	Chemical Effects and Surface-properties - the Nature of An Adsorbed Complex INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. Vol. 49. Pag.429-448 ISSN:0020-7608.
	G., Delre; Peluso, Andrea
	Codice identificativo ISI: WOS:A1994MU69600008
	Show it in Product Database (IRIS)

52915Molecular Structure-Property Relations. Three Remarks on Reactivity Indices

	1994
	Contributo in volume (Capitolo o Saggio)
	Molecular Structure-Property Relations. Three Remarks on Reactivity Indices. In Kryachko E. S., Calais J. L. Conceptual Trends in Quantum Chemistry Pag.119-134 Attuale:OXFORD UNIV PRESS, GREAT CLARENDON ST, OXFORD, ENGLAND, OX2 6DP Kluwer Academic Publishers:Journals Department, PO Box 322, 3300 AH Dordrecht Netherlands:011 31 78 6576050, EMAIL: frontoffice@wkap.nl, kluweronline@wkap.nl, INTERNET: http://www.kluwerlaw.com, Fax: 011 31 78 6576254. ISBN:9780792326212
	Del Re, G.; Peluso, Andrea
	Show it in Product Database (IRIS)

45851Bis(phosphine)nickelacyclopentane - An Investigation By Local Spin-density Theory

	1990
	Articolo in rivista
	Bis(phosphine)nickelacyclopentane - An Investigation By Local Spin-density Theory INORGANIC CHEMISTRY. Vol. 29. Pag.1544-1549 ISSN:0020-1669.
	Peluso, Andrea; D. R., Salahub; A., Goursot
	Digital Object Identifier (DOI): 10.1021/ic00333a020 Codice identificativo ISI: WOS:A1990DA73500020
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45852Co2 Electron Dissociation In the 18-46 Ev Range - A Report of the O+ and Co+ Abundances

	1989
	Articolo in rivista
	Co2 Electron Dissociation In the 18-46 Ev Range - A Report of the O+ and Co+ Abundances INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES. Vol. 87. Pag.41-50 ISSN:0168-1176.
	M., Armenante; R., Cesaro; V., Santoro; N., Spinelli; F., Vanoli; G., Delre; Peluso, Andrea; S., Filippi
	Digital Object Identifier (DOI): 10.1016/0168-1176(89)80004-7 Codice identificativo ISI: WOS:A1989R921000004
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45853Charge-distributions and Chemical Effects .45. Graphite

	1988
	Articolo in rivista
	Charge-distributions and Chemical Effects .45. Graphite CANADIAN JOURNAL OF CHEMISTRY. Vol. 66. Pag.2631-2633 ISSN:0008-4042.
	Peluso, Andrea; S., Fliszar
	Digital Object Identifier (DOI): 10.1139/v88-412 Codice identificativo ISI: WOS:A1988Q942000024
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45854A Theoretical-study of Ion Selectivity of Zeolites - Application To Chabazite

	1987
	Articolo in rivista
	A Theoretical-study of Ion Selectivity of Zeolites - Application To Chabazite JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS. Vol. 48. Pag.1-12 ISSN:0022-3697.
	M. C., Barreto; Ciambelli, Paolo; G., Delre; Peluso, Andrea
	Digital Object Identifier (DOI): 10.1016/0022-3697(87)90135-1 Codice identificativo ISI: WOS:A1987G343300001
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45855Self-consistent-field Calculations of the Vibrational-spectrum of Undoped and Doped Transpolyacetylene

	1985
	Articolo in rivista
	Self-consistent-field Calculations of the Vibrational-spectrum of Undoped and Doped Transpolyacetylene CANADIAN JOURNAL OF CHEMISTRY. Vol. 63. Pag.1553-1561 ISSN:0008-4042.
	Peluso, Andrea; M., Seel; J., Ladik
	Digital Object Identifier (DOI): 10.1139/v85-264 Codice identificativo ISI: WOS:A1985ANW9500036
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45856Hydrogen Bridges and Electron-transfer In Biomolecules - Study of A Possible Mechanism On A Model Charge Recombination System

	1985
	Articolo in rivista
	Hydrogen Bridges and Electron-transfer In Biomolecules - Study of A Possible Mechanism On A Model Charge Recombination System CANADIAN JOURNAL OF CHEMISTRY. Vol. 63. Pag.1850-1856 ISSN:0008-4042.
	G., Delre; Peluso, Andrea; C., Minichino
	Codice identificativo ISI: WOS:A1985ANW9500079
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45857The Infrared and Raman-spectrum of Trans-polyacetylene - A Self-consistent-field Study

	1985
	Articolo in rivista
	The Infrared and Raman-spectrum of Trans-polyacetylene - A Self-consistent-field Study SOLID STATE COMMUNICATIONS. Vol. 53. Pag.893-896 ISSN:0038-1098.
	Peluso, Andrea; M., Seel; J., Ladik
	Digital Object Identifier (DOI): 10.1016/0038-1098(85)90075-4 Codice identificativo ISI: WOS:A1985ACE3800015
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Andrea PELUSO | Publications

Andrea PELUSO Publications

360984Toward Efficient Modeling of Nonradiative Decay in Extended INVEST: Overcoming Computational Challenges in Quantum Dynamics Simulations

338918Electron Localization and Mobility in Monolayer Fullerene Networks

317469Fast Nonradiative Decay Paths in Organic Solar Cells: Implications for Designing More Efficient Photovoltaic Systems

359386Elementary processes in ternary solar cells

359665Quantum Chemical Insights into DNA Nucleobase Oxidation: Bridging Theory and Experiment

338879The rates of non-adiabatic processes in large molecular systems: Toward an effective full-dimensional quantum mechanical approach

338898Asymmetrical Diketopyrrolopyrrole Derivatives with Improved Solubility and Balanced Charge Transport Properties

338958In-silico prediction of the organic solar cells’ performances

317468Towards Effective Full-Dimensional Quantum Dynamics: Predicting the Non-Adiabatic Transition Rates in Azulene

262145Sol-Gel Dipping Devices for H2S Visualization

259919Salen, salan and salalen zinc(II) complexes in the interaction with HS-: time-resolved fluorescence applications

264095Is a thin mechanism appropriate for aromatic nitration?

252798High N‐H Photoacidity of a Nitrogen‐Rich Fused Ring Heteroaromatic Scaffold

303138Towards a fast machine-learning-assisted prediction of the mechanoelectric response in organic crystals

294398Winning Strategy toward Acentric Crystals: Transverse Dipole Moment Molecules

294427Charge Localization in Acene Crystals from Ab Initio Electronic Structure

305753Hydroxyl Radical vs. One-Electron Oxidation Reactivities in an Alternating GC Double-Stranded Oligonucleotide: A New Type Electron Hole Stabilization

257198Electron Transfer Rates in Solution: Toward a Predictive First Principle Approach

296800In-silico prediction of the organic solar cells’ performances

223750Paper-Strip-Based Sensors for H2S Detection: A Proof-of-Principle Study

243859Efficient Charge Dissociation of Triplet Excitons in Bulk Heterojunction Solar Cells

260620Current Density and Spectroscopy-A Themed Issue in Honor of Professor Riccardo Zanasi on the Occasion of His 70th Birthday

245909Electron Transfer Rates in Polar and Non-Polar Environments: a Generalization of Marcus’ Theory to Include an Effective Treatment of Tunneling Effects

256626Duplex DNA Retains the Conformational Features of Single Strands: Perspectives from MD Simulations and Quantum Chemical Computations

318653In-silico prediction of the organic solar cells’ efficiency

206678Crystal structures and photoluminescence properties of chromium(III) complexes with 2-thenoyltrifluoroacetone ligand

214755The time scale of electronic resonance in oxidized dna as modulated by solvent response: An md/qm-mm study

193484Quantitative Prediction of the Electro-Mechanical Response in Organic Crystals

214753Reliable Predictions of Benzophenone Singlet-Triplet Transition Rates: A Second-Order Cumulant Approach

214757Is Aromatic Nitration Spin Density Driven?

214759High-Energy-Density Materials: An Amphoteric N-Rich Bis(triazole) and Salts of Its Cationic and Anionic Species

190376Fluorescent salen-type Zn(II) Complexes As Probes for Detecting Hydrogen Sulfide and Its Anion: Bioimaging Applications

187975Phototautomerism of triazolo-triazole scaffold

187974Coherent Effects in Charge Transport in Molecular Wires: Toward a Unifying Picture of Long-Range Hole Transfer in DNA

187973Tautomeric and conformational switching in a new versatile N-rich heterocyclic ligand

164648The dynamics of hole transfer in DNA

164550Explaining different experimental hole mobilities: influence of polymorphism on dynamic disorder in pentacene

157151Disentangling Electronic and Vibrational Effects in the Prediction of Band Shapes for Singlet-Triplet Transitions

157152Transient and Enduring Electronic Resonances Drive Coherent Long Distance Charge Transport in Molecular Wires

214761Efficient Prediction of Coherent Long-Distance Charge Transport in DNA

130720An Anthracene-Incorporated [8]Cycloparaphenylene Derivative as an Emitter in Photon Upconversion

132432Hole Hopping Rates in Organic Semiconductors: A Second-Order Cumulant Approach

149795Second-Order Cumulant Approach for the Evaluation of Anisotropic Hole Mobility in Organic Semiconductors

161363Solid state selection between nearly isoenergetic tautomeric forms driven by right hydrogen-bonding pairing

153218Single Stranded DNA Oligonucleotides Retain Rise Coordinates Characteristic of Double Helices

150103Chemically modified cycloparaphenylenes with novel optoelectronic and supramolecular properties

112805Modeling DNA oxidation in water

112804Solid State Separation and Isolation of Tautomers of Fused-Ring Triazolotriazoles

116066Synthesis, spectroscopic properties and DFT calculations of a novel multipolar azo dye and its zinc(II) complex

214764Modeling hole transfer in DNA oligonucleotides

139150A [8]Cycloparaphenylene Derivative as Emitter in Triplet-Triplet Annihilation Upconversion

214765First principle analysis of singlet-triplet transitions in organic molecules

100977First-Principle Calculations of the Band Shapes of Singlet–Triplet Transitions

101341Absorption Band Shapes of a Push-Pull Dye Approaching the Cyanine Limit: A Challenging Case for First Principle Calculations

87581N-Rich Fused Heterocyclic Systems: Synthesis, Structure, Optical and Electrochemical Characterization

106144Quantum dynamics of electronic transitions with Gauss-Hermite wave packets

106147Tuning optical absorption in pyran derivatives for DSSC

106140Novel pyran based dyes for application in dye sensitized solar cells

78953Quantum dynamics of radiationless electronic transitions including normal modes displacements and duschinsky rotations: A second-order cumulant approach

65496Hole delocalization over adenine tracts in single stranded DNA oligonucleotides

65485Delocalized hole domains in Guanine-rich DNA oligonucleotides

65472The association constant of 5′,8-cyclo-2′-deoxyguanosine with cytidine

74784First Principle Analysis of Charge Dissociation and Charge Recombination Processes in Organic Solar Cells

73502DFT predictions of the oxidation potential of organic dyes for opto-electronic devices

78943Vibronic couplings and coherent electron transfer in bridged systems

75475Proton induced tautomeric switching in N-rich aromatics with tunable acid-base character

74153One-pot highly diastereoselective annulation to N-unprotected tetrasubstituted 2-pyrrolines

75541Delocalized Polarons in Single Stranded DNA Oligonucleotides

75543The rates of charge dissociation and charge recombination processes in organic solar cells

65265The oxidization potential of AA steps in single strand DNA oligomers

60706Hole hopping rates in single strand oligonucleotides

61333POLY(N-PENTENYL-CARBAZOLE): DESIGN, SYNTHESIS, AND ELECTRONIC PROPERTIES

61320Oxidative Stability of Nucleobases by Stacking Interactions in Oligonucleotides. A Differential Pulse Voltammetry approach

61354The effect of inter-base interactions on the electronic states of oxidized DNA

61198The effect of inter-base interactions on the electronic states of oxidized DNA

57486Franck–Condon factors—Computational approaches and recentdevelopments

57569Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals

57571Ring to open-chain transformation induced by selective metalcoordination in a new dithiocarbazate ligand