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Chiara Cappelli

Showing results (51-60 of 128) with videos related to

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Physical Chemistry Chemical Physics : PCCP|November 8, 2014
An integrated computational tool to model the broadening of the absorption bands of flexible dyes in solution: cationic chromophores as test casesEnrico Benassi, Chiara Cappelli, Benedetta Carlotti, et al.
Journal of Chemical Theory and Computation|January 27, 2026
Analytical Nuclear Gradients for the Multiconfigurational Self-Consistent Field Method Coupled with the Polarizable Fluctuating Charges ModelFrancesco Mazza, Marco Trinari, Chiara Sepali, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|February 11, 2026
Atomistic QM/Classical Modeling of Surface-Enhanced Infrared AbsorptionSveva Sodomaco, Piero Lafiosca, Tommaso Giovannini, et al.
The Journal of Chemical Physics|September 22, 2011
Towards an accurate description of anharmonic infrared spectra in solution within the polarizable continuum model: reaction field, cavity field and nonequilibrium effectsChiara Cappelli, Filippo Lipparini, Julien Bloino, et al.
Journal of Chemical Theory and Computation|December 1, 2015
On the Calculation of Vibrational Frequencies for Molecules in Solution Beyond the Harmonic ApproximationChiara Cappelli, Susanna Monti, Giovanni Scalmani, et al.
Physical Chemistry Chemical Physics : PCCP|March 22, 2018
Effective computational route towards vibrational optical activity spectra of chiral molecules in aqueous solutionTommaso Giovannini, Gianluca Del Frate, Piero Lafiosca, et al.
The Journal of Chemical Physics|May 10, 2015
Origin invariance in vibrational resonance Raman optical activityLuciano N Vidal, Franco Egidi, Vincenzo Barone, et al.
The Journal of Physical Chemistry. B|March 6, 2008
Modulation of the optical response of polyethylene films containing luminescent perylene chromophoresFilippo Donati, Andrea Pucci, Chiara Cappelli, et al.
Biosensors & Bioelectronics|June 30, 2006
Towards the design of highly selective recognition sites into molecular imprinting polymers: a computational approachSusanna Monti, Chiara Cappelli, Simona Bronco, et al.
Journal of Chemical Information and Modeling|February 6, 2023
UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNASara Gómez, Piero Lafiosca, Franco Egidi, et al.
Pageof 13

Showing results (51-60 of 128) with videos related to

Sort By:
Pageof 13
Physical Chemistry Chemical Physics : PCCP|November 8, 2014
An integrated computational tool to model the broadening of the absorption bands of flexible dyes in solution: cationic chromophores as test casesEnrico Benassi, Chiara Cappelli, Benedetta Carlotti, et al.
Journal of Chemical Theory and Computation|January 27, 2026
Analytical Nuclear Gradients for the Multiconfigurational Self-Consistent Field Method Coupled with the Polarizable Fluctuating Charges ModelFrancesco Mazza, Marco Trinari, Chiara Sepali, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|February 11, 2026
Atomistic QM/Classical Modeling of Surface-Enhanced Infrared AbsorptionSveva Sodomaco, Piero Lafiosca, Tommaso Giovannini, et al.
The Journal of Chemical Physics|September 22, 2011
Towards an accurate description of anharmonic infrared spectra in solution within the polarizable continuum model: reaction field, cavity field and nonequilibrium effectsChiara Cappelli, Filippo Lipparini, Julien Bloino, et al.
Journal of Chemical Theory and Computation|December 1, 2015
On the Calculation of Vibrational Frequencies for Molecules in Solution Beyond the Harmonic ApproximationChiara Cappelli, Susanna Monti, Giovanni Scalmani, et al.
Physical Chemistry Chemical Physics : PCCP|March 22, 2018
Effective computational route towards vibrational optical activity spectra of chiral molecules in aqueous solutionTommaso Giovannini, Gianluca Del Frate, Piero Lafiosca, et al.
The Journal of Chemical Physics|May 10, 2015
Origin invariance in vibrational resonance Raman optical activityLuciano N Vidal, Franco Egidi, Vincenzo Barone, et al.
The Journal of Physical Chemistry. B|March 6, 2008
Modulation of the optical response of polyethylene films containing luminescent perylene chromophoresFilippo Donati, Andrea Pucci, Chiara Cappelli, et al.
Biosensors & Bioelectronics|June 30, 2006
Towards the design of highly selective recognition sites into molecular imprinting polymers: a computational approachSusanna Monti, Chiara Cappelli, Simona Bronco, et al.
Journal of Chemical Information and Modeling|February 6, 2023
UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNASara Gómez, Piero Lafiosca, Franco Egidi, et al.
Pageof 13