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Molecules (Basel, Switzerland)
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December 31, 2025
The UV-Visible Absorption Spectra of Coumarin and Nile Red in Aqueous Solution: A Polarizable QM/MM Study
Tommaso Giovannini, Matteo Ambrosetti, Chiara Cappelli
Chemical Society Reviews
|
August 4, 2020
Molecular spectroscopy of aqueous solutions: a theoretical perspective
Tommaso 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 study
Chiara Cappelli, Benedetta Mennucci, Susanna Monti
The Journal of Physical Chemistry. B
|
June 30, 2006
Characterization of supramolecular polyphenol-chromium(III) clusters by molecular dynamics simulations
Simona Bronco, Chiara Cappelli, Susanna Monti
ACS Physical Chemistry Au
|
January 31, 2023
Multiple Facets of Modeling Electronic Absorption Spectra of Systems in Solution
Sara Gómez, Tommaso Giovannini, Chiara Cappelli
The Journal of Physical Chemistry. B
|
July 21, 2006
Toward the supramolecular structure of collagen: a molecular dynamics approach
Susanna 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 charges
Ivan Carnimeo, Chiara Cappelli, Vincenzo Barone
Physical Chemistry Chemical Physics : PCCP
|
March 3, 2020
Absorption spectra of xanthines in aqueous solution: a computational study
Sara 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 applications
Filippo 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 Hamiltonian
Filippo Lipparini, Chiara Cappelli, Vincenzo Barone
Page
of 13
Search research articles
Search
Showing results (11-20 of 128) with videos related to
Sort By:
Page
of 13
Molecules (Basel, Switzerland)
|
December 31, 2025
The UV-Visible Absorption Spectra of Coumarin and Nile Red in Aqueous Solution: A Polarizable QM/MM Study
Tommaso Giovannini, Matteo Ambrosetti, Chiara Cappelli
Chemical Society Reviews
|
August 4, 2020
Molecular spectroscopy of aqueous solutions: a theoretical perspective
Tommaso 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 study
Chiara Cappelli, Benedetta Mennucci, Susanna Monti
The Journal of Physical Chemistry. B
|
June 30, 2006
Characterization of supramolecular polyphenol-chromium(III) clusters by molecular dynamics simulations
Simona Bronco, Chiara Cappelli, Susanna Monti
ACS Physical Chemistry Au
|
January 31, 2023
Multiple Facets of Modeling Electronic Absorption Spectra of Systems in Solution
Sara Gómez, Tommaso Giovannini, Chiara Cappelli
The Journal of Physical Chemistry. B
|
July 21, 2006
Toward the supramolecular structure of collagen: a molecular dynamics approach
Susanna 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 charges
Ivan Carnimeo, Chiara Cappelli, Vincenzo Barone
Physical Chemistry Chemical Physics : PCCP
|
March 3, 2020
Absorption spectra of xanthines in aqueous solution: a computational study
Sara 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 applications
Filippo 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 Hamiltonian
Filippo Lipparini, Chiara Cappelli, Vincenzo Barone
Page
of 13