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Marco Garavelli

Showing results (91-100 of 166) with videos related to

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Photochemistry and Photobiology|February 15, 2024
Reconciling TD-DFT and CASPT2 electronic structure methods for describing the photophysics of DNAVishal Kumar Jaiswal, Mario Taddei, Daniel R Nascimento, et al.
Journal of the American Chemical Society|May 16, 2008
Triplet pathways in diarylethene photochromism: photophysical and computational study of dyads containing ruthenium(II) polypyridine and 1,2-bis(2-methylbenzothiophene-3-yl)maleimide unitsMaria Teresa Indelli, Stefano Carli, Marco Ghirotti, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Structure, spectroscopy, and spectral tuning of the gas-phase retinal chromophore: the beta-ionone "handle" and alkyl group effectAlessandro Cembran, Remedios Gonzalez-Luque, Piero Altoè, et al.
Journal of Molecular Modeling|September 5, 2018
COBRAMM 2.0 - A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulationsOliver Weingart, Artur Nenov, Piero Altoè, et al.
Journal of the American Chemical Society|November 15, 2002
Cyclooctatetraene computational photo- and thermal chemistry: a reactivity model for conjugated hydrocarbonsMarco Garavelli, Fernando Bernardi, Alessandro Cembran, et al.
Journal of Chemical Theory and Computation|February 23, 2026
Diabatization with Electrostatic Embedding for Studying Photophysics in Organic Molecular CrystalsMichael Ingham, Mohammad Aarabi, Samuele Giannini, et al.
Physical Chemistry Chemical Physics : PCCP|June 19, 2015
Spectral lineshapes in nonlinear electronic spectroscopyArtur Nenov, Angelo Giussani, Benjamin P Fingerhut, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|August 16, 2017
Multiple Electronic and Structural Factors Control Cyclobutane Pyrimidine Dimer and 6-4 Thymine-Thymine Photodimerization in a DNA DuplexIrene Conti, Lara Martínez-Fernández, Luciana Esposito, et al.
Journal of Computational Chemistry|June 27, 2003
A simple approach for improving the hybrid MMVB force field: application to the photoisomerization of s-cis butadieneMarco Garavelli, Fabrizio Ruggeri, Francois Ogliaro, et al.
Digital Discovery|December 12, 2025
Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representationsSalvatore Sorrentino, Alessandro Gussoni, Francesco Calcagno, et al.
Pageof 17

Showing results (91-100 of 166) with videos related to

Sort By:
Pageof 17
Photochemistry and Photobiology|February 15, 2024
Reconciling TD-DFT and CASPT2 electronic structure methods for describing the photophysics of DNAVishal Kumar Jaiswal, Mario Taddei, Daniel R Nascimento, et al.
Journal of the American Chemical Society|May 16, 2008
Triplet pathways in diarylethene photochromism: photophysical and computational study of dyads containing ruthenium(II) polypyridine and 1,2-bis(2-methylbenzothiophene-3-yl)maleimide unitsMaria Teresa Indelli, Stefano Carli, Marco Ghirotti, et al.
The Journal of Physical Chemistry. A|July 13, 2006
Structure, spectroscopy, and spectral tuning of the gas-phase retinal chromophore: the beta-ionone "handle" and alkyl group effectAlessandro Cembran, Remedios Gonzalez-Luque, Piero Altoè, et al.
Journal of Molecular Modeling|September 5, 2018
COBRAMM 2.0 - A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulationsOliver Weingart, Artur Nenov, Piero Altoè, et al.
Journal of the American Chemical Society|November 15, 2002
Cyclooctatetraene computational photo- and thermal chemistry: a reactivity model for conjugated hydrocarbonsMarco Garavelli, Fernando Bernardi, Alessandro Cembran, et al.
Journal of Chemical Theory and Computation|February 23, 2026
Diabatization with Electrostatic Embedding for Studying Photophysics in Organic Molecular CrystalsMichael Ingham, Mohammad Aarabi, Samuele Giannini, et al.
Physical Chemistry Chemical Physics : PCCP|June 19, 2015
Spectral lineshapes in nonlinear electronic spectroscopyArtur Nenov, Angelo Giussani, Benjamin P Fingerhut, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|August 16, 2017
Multiple Electronic and Structural Factors Control Cyclobutane Pyrimidine Dimer and 6-4 Thymine-Thymine Photodimerization in a DNA DuplexIrene Conti, Lara Martínez-Fernández, Luciana Esposito, et al.
Journal of Computational Chemistry|June 27, 2003
A simple approach for improving the hybrid MMVB force field: application to the photoisomerization of s-cis butadieneMarco Garavelli, Fabrizio Ruggeri, Francois Ogliaro, et al.
Digital Discovery|December 12, 2025
Mol2Raman: a graph neural network model for predicting Raman spectra from SMILES representationsSalvatore Sorrentino, Alessandro Gussoni, Francesco Calcagno, et al.
Pageof 17