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Marco Garavelli

Showing results (11-20 of 166) with videos related to

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Journal of the American Chemical Society|March 14, 2008
The different photoisomerization efficiency of azobenzene in the lowest n pi* and pi pi* singlets: the role of a phantom stateIrene Conti, Marco Garavelli, Giorgio Orlandi
Proteins|May 13, 2008
Computational evidence for the catalytic mechanism of glutaminyl cyclase. A DFT investigationMatteo Calvaresi, Marco Garavelli, Andrea Bottoni
Journal of Chemical Theory and Computation|November 18, 2015
Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical ProblemsJavier Segarra-Martí, Marco Garavelli, Francesco Aquilante
Journal of the American Chemical Society|October 9, 2003
Excited-state singlet manifold and oscillatory features of a nonatetraeniminium retinal chromophore modelAlessandro Cembran, Fernando Bernardi, Massimo Olivucci, et al.
Journal of the American Chemical Society|December 9, 2004
Counterion controlled photoisomerization of retinal chromophore models: a computational investigationAlessandro Cembran, Fernando Bernardi, Massimo Olivucci, et al.
Journal of Chemical Theory and Computation|June 11, 2021
QM/MM Nonadiabatic Dynamics: the SHARC/COBRAMM ApproachDavide Avagliano, Matteo Bonfanti, Marco Garavelli, et al.
Journal of Computational Chemistry|July 11, 2022
Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMMDavide Avagliano, Matteo Bonfanti, Artur Nenov, et al.
Proceedings of the National Academy of Sciences of the United States of America|November 5, 2010
Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumpingPiero Altoè, Alessandro Cembran, Massimo Olivucci, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Two-Dimensional Electronic Spectroscopy of Benzene, Phenol, and Their Dimer: An Efficient First-Principles Simulation ProtocolArtur Nenov, Shaul Mukamel, Marco Garavelli, et al.
Proceedings of the National Academy of Sciences of the United States of America|April 28, 2005
The retinal chromophore/chloride ion pair: structure of the photoisomerization path and interplay of charge transfer and covalent statesAlessandro Cembran, Fernando Bernardi, Massimo Olivucci, et al.
Pageof 17

Showing results (11-20 of 166) with videos related to

Sort By:
Pageof 17
Journal of the American Chemical Society|March 14, 2008
The different photoisomerization efficiency of azobenzene in the lowest n pi* and pi pi* singlets: the role of a phantom stateIrene Conti, Marco Garavelli, Giorgio Orlandi
Proteins|May 13, 2008
Computational evidence for the catalytic mechanism of glutaminyl cyclase. A DFT investigationMatteo Calvaresi, Marco Garavelli, Andrea Bottoni
Journal of Chemical Theory and Computation|November 18, 2015
Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical ProblemsJavier Segarra-Martí, Marco Garavelli, Francesco Aquilante
Journal of the American Chemical Society|October 9, 2003
Excited-state singlet manifold and oscillatory features of a nonatetraeniminium retinal chromophore modelAlessandro Cembran, Fernando Bernardi, Massimo Olivucci, et al.
Journal of the American Chemical Society|December 9, 2004
Counterion controlled photoisomerization of retinal chromophore models: a computational investigationAlessandro Cembran, Fernando Bernardi, Massimo Olivucci, et al.
Journal of Chemical Theory and Computation|June 11, 2021
QM/MM Nonadiabatic Dynamics: the SHARC/COBRAMM ApproachDavide Avagliano, Matteo Bonfanti, Marco Garavelli, et al.
Journal of Computational Chemistry|July 11, 2022
Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMMDavide Avagliano, Matteo Bonfanti, Artur Nenov, et al.
Proceedings of the National Academy of Sciences of the United States of America|November 5, 2010
Aborted double bicycle-pedal isomerization with hydrogen bond breaking is the primary event of bacteriorhodopsin proton pumpingPiero Altoè, Alessandro Cembran, Massimo Olivucci, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Two-Dimensional Electronic Spectroscopy of Benzene, Phenol, and Their Dimer: An Efficient First-Principles Simulation ProtocolArtur Nenov, Shaul Mukamel, Marco Garavelli, et al.
Proceedings of the National Academy of Sciences of the United States of America|April 28, 2005
The retinal chromophore/chloride ion pair: structure of the photoisomerization path and interplay of charge transfer and covalent statesAlessandro Cembran, Fernando Bernardi, Massimo Olivucci, et al.
Pageof 17