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Journal of Molecular Modeling
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October 23, 2024
Towards a complete description of the reaction mechanisms between nitrenium ions and water
Sara Gómez, Natalia Rojas-Valencia, Chiara Cappelli, et al.
The Journal of Chemical Physics
|
January 22, 2025
Mixed atomistic-implicit quantum/classical approach to molecular nanoplasmonics
Pablo Grobas Illobre, Piero Lafiosca, Luca Bonatti, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian
Filippo Lipparini, Chiara Cappelli, Giovanni Scalmani, et al.
The Journal of Physical Chemistry. A
|
February 20, 2009
Structures and properties of electronically excited chromophores in solution from the polarizable continuum model coupled to the time-dependent density functional theory
Benedetta Mennucci, Chiara Cappelli, Ciro Achille Guido, et al.
Journal of Chemical Theory and Computation
|
February 10, 2026
DMRG/FQ: A Polarizable Embedding Approach Combining Density Matrix Renormalization Group and Fluctuating Charges
Matteo Rinaldi, Chiara Sepali, Alicia M Kirk, et al.
Journal of Chemical Theory and Computation
|
June 28, 2019
Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Roberto Di Remigio, Tommaso Giovannini, Matteo Ambrosetti, et al.
The Journal of Chemical Physics
|
November 10, 2019
Electronic transitions for a fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles: Linear and corrected linear response regimes
Tommaso Giovannini, Rosario Roberto Riso, Matteo Ambrosetti, et al.
Molecules (Basel, Switzerland)
|
December 23, 2022
Dissecting Bonding Interactions in Cysteine Dimers
Santiago Gómez, Sara Gómez, Jorge David, et al.
Journal of Chemical Theory and Computation
|
November 10, 2015
Stereo-electronic, vibrational, and environmental contributions to polarizabilities of large molecular systems: a feasible anharmonic protocol
Franco Egidi, Tommaso Giovannini, Matteo Piccardo, et al.
Journal of Chemical Theory and Computation
|
November 12, 2024
Fully Polarizable Multiconfigurational Self-Consistent Field/Fluctuating Charges Approach
Chiara Sepali, Linda Goletto, Piero Lafiosca, et al.
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Search research articles
Search
Showing results (81-90 of 128) with videos related to
Sort By:
Page
of 13
Journal of Molecular Modeling
|
October 23, 2024
Towards a complete description of the reaction mechanisms between nitrenium ions and water
Sara Gómez, Natalia Rojas-Valencia, Chiara Cappelli, et al.
The Journal of Chemical Physics
|
January 22, 2025
Mixed atomistic-implicit quantum/classical approach to molecular nanoplasmonics
Pablo Grobas Illobre, Piero Lafiosca, Luca Bonatti, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian
Filippo Lipparini, Chiara Cappelli, Giovanni Scalmani, et al.
The Journal of Physical Chemistry. A
|
February 20, 2009
Structures and properties of electronically excited chromophores in solution from the polarizable continuum model coupled to the time-dependent density functional theory
Benedetta Mennucci, Chiara Cappelli, Ciro Achille Guido, et al.
Journal of Chemical Theory and Computation
|
February 10, 2026
DMRG/FQ: A Polarizable Embedding Approach Combining Density Matrix Renormalization Group and Fluctuating Charges
Matteo Rinaldi, Chiara Sepali, Alicia M Kirk, et al.
Journal of Chemical Theory and Computation
|
June 28, 2019
Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
Roberto Di Remigio, Tommaso Giovannini, Matteo Ambrosetti, et al.
The Journal of Chemical Physics
|
November 10, 2019
Electronic transitions for a fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles: Linear and corrected linear response regimes
Tommaso Giovannini, Rosario Roberto Riso, Matteo Ambrosetti, et al.
Molecules (Basel, Switzerland)
|
December 23, 2022
Dissecting Bonding Interactions in Cysteine Dimers
Santiago Gómez, Sara Gómez, Jorge David, et al.
Journal of Chemical Theory and Computation
|
November 10, 2015
Stereo-electronic, vibrational, and environmental contributions to polarizabilities of large molecular systems: a feasible anharmonic protocol
Franco Egidi, Tommaso Giovannini, Matteo Piccardo, et al.
Journal of Chemical Theory and Computation
|
November 12, 2024
Fully Polarizable Multiconfigurational Self-Consistent Field/Fluctuating Charges Approach
Chiara Sepali, Linda Goletto, Piero Lafiosca, et al.
Page
of 13