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Chiara Cappelli

Showing results (11-20 of 128) with videos related to

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Molecules (Basel, Switzerland)|December 31, 2025
The UV-Visible Absorption Spectra of Coumarin and Nile Red in Aqueous Solution: A Polarizable QM/MM StudyTommaso Giovannini, Matteo Ambrosetti, Chiara Cappelli
Chemical Society Reviews|August 4, 2020
Molecular spectroscopy of aqueous solutions: a theoretical perspectiveTommaso Giovannini, Franco Egidi, Chiara Cappelli
The Journal of Physical Chemistry. A|July 13, 2006
Environmental effects on the spectroscopic properties of gallic acid: a combined classical and quantum mechanical studyChiara Cappelli, Benedetta Mennucci, Susanna Monti
The Journal of Physical Chemistry. B|June 30, 2006
Characterization of supramolecular polyphenol-chromium(III) clusters by molecular dynamics simulationsSimona Bronco, Chiara Cappelli, Susanna Monti
ACS Physical Chemistry Au|January 31, 2023
Multiple Facets of Modeling Electronic Absorption Spectra of Systems in SolutionSara Gómez, Tommaso Giovannini, Chiara Cappelli
The Journal of Physical Chemistry. B|July 21, 2006
Toward the supramolecular structure of collagen: a molecular dynamics approachSusanna Monti, Simona Bronco, Chiara Cappelli
Journal of Computational Chemistry|September 25, 2015
Analytical gradients for MP2, double hybrid functionals, and TD-DFT with polarizable embedding described by fluctuating chargesIvan Carnimeo, Chiara Cappelli, Vincenzo Barone
Physical Chemistry Chemical Physics : PCCP|March 3, 2020
Absorption spectra of xanthines in aqueous solution: a computational studySara Gómez, Tommaso Giovannini, Chiara Cappelli
The Journal of Chemical Physics|June 28, 2013
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: general three-layer model, computational implementation and pilot applicationsFilippo Lipparini, Chiara Cappelli, Vincenzo Barone
Journal of Chemical Theory and Computation|November 26, 2015
Linear Response Theory and Electronic Transition Energies for a Fully Polarizable QM/Classical HamiltonianFilippo Lipparini, Chiara Cappelli, Vincenzo Barone
Pageof 13

Showing results (11-20 of 128) with videos related to

Sort By:
Pageof 13
Molecules (Basel, Switzerland)|December 31, 2025
The UV-Visible Absorption Spectra of Coumarin and Nile Red in Aqueous Solution: A Polarizable QM/MM StudyTommaso Giovannini, Matteo Ambrosetti, Chiara Cappelli
Chemical Society Reviews|August 4, 2020
Molecular spectroscopy of aqueous solutions: a theoretical perspectiveTommaso Giovannini, Franco Egidi, Chiara Cappelli
The Journal of Physical Chemistry. A|July 13, 2006
Environmental effects on the spectroscopic properties of gallic acid: a combined classical and quantum mechanical studyChiara Cappelli, Benedetta Mennucci, Susanna Monti
The Journal of Physical Chemistry. B|June 30, 2006
Characterization of supramolecular polyphenol-chromium(III) clusters by molecular dynamics simulationsSimona Bronco, Chiara Cappelli, Susanna Monti
ACS Physical Chemistry Au|January 31, 2023
Multiple Facets of Modeling Electronic Absorption Spectra of Systems in SolutionSara Gómez, Tommaso Giovannini, Chiara Cappelli
The Journal of Physical Chemistry. B|July 21, 2006
Toward the supramolecular structure of collagen: a molecular dynamics approachSusanna Monti, Simona Bronco, Chiara Cappelli
Journal of Computational Chemistry|September 25, 2015
Analytical gradients for MP2, double hybrid functionals, and TD-DFT with polarizable embedding described by fluctuating chargesIvan Carnimeo, Chiara Cappelli, Vincenzo Barone
Physical Chemistry Chemical Physics : PCCP|March 3, 2020
Absorption spectra of xanthines in aqueous solution: a computational studySara Gómez, Tommaso Giovannini, Chiara Cappelli
The Journal of Chemical Physics|June 28, 2013
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: general three-layer model, computational implementation and pilot applicationsFilippo Lipparini, Chiara Cappelli, Vincenzo Barone
Journal of Chemical Theory and Computation|November 26, 2015
Linear Response Theory and Electronic Transition Energies for a Fully Polarizable QM/Classical HamiltonianFilippo Lipparini, Chiara Cappelli, Vincenzo Barone
Pageof 13