Conical intersection dynamics of the primary photoisomerization event in vision
POLLI, Dario, ALTOE, Piero, GARAVELLI, Marco, CERULLO, Giulio, WEINGART, Oliver, SPILLANE, Katelyn M, MANZONI, Cristian, BRIDA, Daniele, TOMASELLO, Gaia, ORLANDI, Giorgio, KUKURA, Philipp, MATHIES, Richard A
Published in Nature (London) (23.09.2010)
Published in Nature (London) (23.09.2010)
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Journal Article
COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations
Weingart, Oliver, Nenov, Artur, Altoè, Piero, Rivalta, Ivan, Segarra-Martí, Javier, Dokukina, Irina, Garavelli, Marco
Published in Journal of molecular modeling (01.09.2018)
Published in Journal of molecular modeling (01.09.2018)
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Journal Article
Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumping
Altoè, Piero, Cembran, Alessandro, Olivucci, Massimo, Garavelli, Marco, Robb, Michael
Published in Proceedings of the National Academy of Sciences - PNAS (23.11.2010)
Published in Proceedings of the National Academy of Sciences - PNAS (23.11.2010)
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Journal Article
Electrostatic Control of the Photoisomerization Efficiency and Optical Properties in Visual Pigments: On the Role of Counterion Quenching
Tomasello, Gaia, Olaso-González, Gloria, Altoè, Piero, Stenta, Marco, Serrano-Andrés, Luis, Merchán, Manuela, Orlandi, Giorgio, Bottoni, Andrea, Garavelli, Marco
Published in Journal of the American Chemical Society (15.04.2009)
Published in Journal of the American Chemical Society (15.04.2009)
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Journal Article
Product formation in rhodopsin by fast hydrogen motions
WEINGART, Oliver, ALTOE, Piero, STENTA, Marco, BOTTONI, Andrea, ORLANDI, Giorgio, GARAVELLI, Marco
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
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Journal Article
Adenine deactivation in DNA resolved at the CASPT2//CASSCF/ AMBER level
CONTI, Irene, ALTOE, Piero, STENTA, Marco, GARAVELLI, Marco, ORLANDI, Giorgio
Published in Physical chemistry chemical physics : PCCP (01.01.2010)
Published in Physical chemistry chemical physics : PCCP (01.01.2010)
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A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction
Altoè, Piero, Stenta, Marco, Bottoni, Andrea, Garavelli, Marco
Published in Theoretical chemistry accounts (01.07.2007)
Published in Theoretical chemistry accounts (01.07.2007)
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Journal Article
Solvent Effects on the Vibrational Activity and Photodynamics of the Green Fluorescent Protein Chromophore: A Quantum-Chemical Study
Altoe', Piero, Bernardi, Fernando, Garavelli, Marco, Orlandi, Giorgio, Negri, Fabrizia
Published in Journal of the American Chemical Society (23.03.2005)
Published in Journal of the American Chemical Society (23.03.2005)
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Journal Article
Probing and Modeling the Absorption of Retinal Protein Chromophores in Vacuo
Rajput, Jyoti, Rahbek, Dennis B, Andersen, Lars H, Hirshfeld, Amiram, Sheves, Mordechai, Altoè, Piero, Orlandi, Giorgio, Garavelli, Marco
Published in Angewandte Chemie (International ed.) (01.03.2010)
Published in Angewandte Chemie (International ed.) (01.03.2010)
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Journal Article
Deciphering Intrinsic Deactivation/Isomerization Routes in a Phytochrome Chromophore Model
Altoè, Piero, Climent, Teresa, De Fusco, Giulia C, Stenta, Marco, Bottoni, Andrea, Serrano-Andrés, Luis, Merchán, Manuela, Orlandi, Giorgio, Garavelli, Marco
Published in The journal of physical chemistry. B (12.11.2009)
Published in The journal of physical chemistry. B (12.11.2009)
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Journal Article
Spectroscopic Properties of Formaldehyde in Aqueous Solution: Insights from Car−Parrinello and TDDFT/CASPT2 Calculations
Lupieri, Paola, Ippoliti, Emiliano, Altoè, Piero, Garavelli, Marco, Mwalaba, M, Carloni, Paolo
Published in Journal of chemical theory and computation (09.11.2010)
Published in Journal of chemical theory and computation (09.11.2010)
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Journal Article
Probing and Modeling the Absorption of Retinal Protein Chromophores in Vacuo
Rajput, Jyoti, Rahbek, Dennis B., Andersen, Lars H., Hirshfeld, Amiram, Sheves, Mordechai, Altoè, Piero, Orlandi, Giorgio, Garavelli, Marco
Published in Angewandte Chemie (01.03.2010)
Published in Angewandte Chemie (01.03.2010)
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Journal Article
Multistate Photo-Induced Relaxation and Photoisomerization Ability of Fumaramide Threads: A Computational and Experimental Study
Altoè, Piero, Haraszkiewicz, Natalia, Gatti, Francesco G, Wiering, Piet G, Frochot, Céline, Brouwer, Albert M, Balkowski, Grzegorz, Shaw, Daniel, Woutersen, Sander, Buma, Wybren Jan, Zerbetto, Francesco, Orlandi, Giorgio, Leigh, David A, Garavelli, Marco
Published in Journal of the American Chemical Society (14.01.2009)
Published in Journal of the American Chemical Society (14.01.2009)
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Journal Article
Adenine deactivation in DNA resolved at the CASPT2//CASSCF/AMBER levelElectronic supplementary information (ESI) available: The QM/MM method; DNA QM/MM set-up; Cartesian coordinates of all structures. See DOI: 10.1039/b926608a
Conti, Irene, Altoè, Piero, Stenta, Marco, Garavelli, Marco, Orlandi, Giorgio
Year of Publication 05.05.2010
Year of Publication 05.05.2010
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Journal Article
Structure, Spectroscopy, and Spectral Tuning of the Gas-Phase Retinal Chromophore: The β-Ionone “Handle” and Alkyl Group Effect
Cembran, Alessandro, González-Luque, Remedios, Altoè, Piero, Merchán, Manuela, Bernardi, Fernando, Olivucci, Massimo, Garavelli, Marco
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.07.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.07.2005)
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Journal Article
Product formation in rhodopsin by fast hydrogen motionsElectronic supplementary information (ESI) available: Computational details, discussion and graphs on statistical analysis, energy storage and limitations of methods. See DOI: 10.1039/c0cp02496a
Weingart, Oliver, Altoè, Piero, Stenta, Marco, Bottoni, Andrea, Orlandi, Giorgio, Garavelli, Marco
Year of Publication 15.02.2011
Year of Publication 15.02.2011
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