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Journal of Chemical Theory and Computation
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December 18, 2023
Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems
Piero Lafiosca, Federico Rossi, Franco Egidi, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 16, 2025
Modeling infrared and vibrational circular dichroism spectra of complex systems: the DFTB/fluctuating charges route
Piero Lafiosca, Sara Gómez, Luca Melega, et al.
The Journal of Chemical Physics
|
April 1, 2019
Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects
Tommaso Giovannini, Piero Lafiosca, Balasubramanian Chandramouli, 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 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
|
June 6, 2023
QM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models
Piero Lafiosca, Luca Nicoli, Luca Bonatti, 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.
Nanoscale Advances
|
June 27, 2024
Multiscale modeling of surface enhanced fluorescence
Pablo Grobas Illobre, Piero Lafiosca, Teresa Guidone, et al.
Journal of Chemical Theory and Computation
|
December 23, 2025
GW Approximation Coupled with Classical Fluctuating Charges and Dipoles
Giovanni Nottoli, Piero Lafiosca, Frank Ernesto Quintela Rodríguez, et al.
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Search research articles
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Showing results (11-20 of 21) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
December 18, 2023
Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems
Piero Lafiosca, Federico Rossi, Franco Egidi, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 16, 2025
Modeling infrared and vibrational circular dichroism spectra of complex systems: the DFTB/fluctuating charges route
Piero Lafiosca, Sara Gómez, Luca Melega, et al.
The Journal of Chemical Physics
|
April 1, 2019
Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects
Tommaso Giovannini, Piero Lafiosca, Balasubramanian Chandramouli, 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 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
|
June 6, 2023
QM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models
Piero Lafiosca, Luca Nicoli, Luca Bonatti, 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.
Nanoscale Advances
|
June 27, 2024
Multiscale modeling of surface enhanced fluorescence
Pablo Grobas Illobre, Piero Lafiosca, Teresa Guidone, et al.
Journal of Chemical Theory and Computation
|
December 23, 2025
GW Approximation Coupled with Classical Fluctuating Charges and Dipoles
Giovanni Nottoli, Piero Lafiosca, Frank Ernesto Quintela Rodríguez, et al.
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