Search research articles
Contact Us
Filters
Showing results (1-10 of 7) with videos related to
Page
of 1
Sort By:
The Journal of Physical Chemistry. A
|
October 30, 2025
Fully Atomistic Modeling in Computational Spectroscopy: Tryptophan in Aqueous Solution as a Test Case
Marco Trinari, Chiara Sepali, Tommaso Giovannini, 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 Model
Francesco Mazza, Marco Trinari, Chiara Sepali, et al.
The Journal of Chemical Physics
|
January 26, 2026
Vertical excitation energies of embedded systems: The vertical excitation model (VEM) within polarizable QM/MM
Chiara Sepali, Piero Lafiosca, Linda Goletto, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
October 12, 2023
Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution
Chiara Sepali, Piero Lafiosca, Sara Gómez, et al.
The Journal of Physical Chemistry. B
|
May 11, 2024
Computational Spectroscopy of Aqueous Solutions: The Underlying Role of Conformational Sampling
Chiara Sepali, Sara Gómez, Emanuele Grifoni, 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
|
November 12, 2024
Fully Polarizable Multiconfigurational Self-Consistent Field/Fluctuating Charges Approach
Chiara Sepali, Linda Goletto, Piero Lafiosca, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. A
|
October 30, 2025
Fully Atomistic Modeling in Computational Spectroscopy: Tryptophan in Aqueous Solution as a Test Case
Marco Trinari, Chiara Sepali, Tommaso Giovannini, 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 Model
Francesco Mazza, Marco Trinari, Chiara Sepali, et al.
The Journal of Chemical Physics
|
January 26, 2026
Vertical excitation energies of embedded systems: The vertical excitation model (VEM) within polarizable QM/MM
Chiara Sepali, Piero Lafiosca, Linda Goletto, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
October 12, 2023
Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution
Chiara Sepali, Piero Lafiosca, Sara Gómez, et al.
The Journal of Physical Chemistry. B
|
May 11, 2024
Computational Spectroscopy of Aqueous Solutions: The Underlying Role of Conformational Sampling
Chiara Sepali, Sara Gómez, Emanuele Grifoni, 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
|
November 12, 2024
Fully Polarizable Multiconfigurational Self-Consistent Field/Fluctuating Charges Approach
Chiara Sepali, Linda Goletto, Piero Lafiosca, et al.
Page
of 1