Search research articles
Contact Us
Filters
Showing results (71-80 of 128) with videos related to
Page
of 13
Sort By:
Frontiers in Chemistry
|
May 28, 2020
Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches
Luca Bonatti, Gabriel Gil, Tommaso Giovannini, et al.
Journal of Chemical Theory and Computation
|
October 28, 2015
Vertical Electronic Excitations in Solution with the EOM-CCSD Method Combined with a Polarizable Explicit/Implicit Solvent Model
Marco Caricato, Filippo Lipparini, Giovanni Scalmani, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2018
A 4,4'-bis(2-benzoxazolyl)stilbene luminescent probe: assessment of aggregate formation through photophysics experiments and quantum-chemical calculations
Antonella Battisti, Matteo Ambrosetti, Giacomo Ruggeri, 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 Physical Chemistry. A
|
February 24, 2006
Solvent effects on Raman optical activity spectra calculated using the polarizable continuum model
Magdalena Pecul, Ewa Lamparska, Chiara Cappelli, et al.
Molecules (Basel, Switzerland)
|
January 21, 2022
Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman
Sara Gómez, Natalia Rojas-Valencia, Tommaso Giovannini, et al.
Journal of Chemical Information and Modeling
|
February 27, 2026
Ligand Versatility and Resistance Mechanism of Monotherapy-Grade HIV-1 Protease Inhibitor GRL-142 Binding the Multidrug Resistant Variant p51: Insights from 1 μs MD Simulations
Alejandro Arias, Chiara Cappelli, Albeiro Restrepo, et al.
Page
of 13
Search research articles
Search
Showing results (71-80 of 128) with videos related to
Sort By:
Page
of 13
Frontiers in Chemistry
|
May 28, 2020
Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches
Luca Bonatti, Gabriel Gil, Tommaso Giovannini, et al.
Journal of Chemical Theory and Computation
|
October 28, 2015
Vertical Electronic Excitations in Solution with the EOM-CCSD Method Combined with a Polarizable Explicit/Implicit Solvent Model
Marco Caricato, Filippo Lipparini, Giovanni Scalmani, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 17, 2018
A 4,4'-bis(2-benzoxazolyl)stilbene luminescent probe: assessment of aggregate formation through photophysics experiments and quantum-chemical calculations
Antonella Battisti, Matteo Ambrosetti, Giacomo Ruggeri, 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 Physical Chemistry. A
|
February 24, 2006
Solvent effects on Raman optical activity spectra calculated using the polarizable continuum model
Magdalena Pecul, Ewa Lamparska, Chiara Cappelli, et al.
Molecules (Basel, Switzerland)
|
January 21, 2022
Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman
Sara Gómez, Natalia Rojas-Valencia, Tommaso Giovannini, et al.
Journal of Chemical Information and Modeling
|
February 27, 2026
Ligand Versatility and Resistance Mechanism of Monotherapy-Grade HIV-1 Protease Inhibitor GRL-142 Binding the Multidrug Resistant Variant p51: Insights from 1 μs MD Simulations
Alejandro Arias, Chiara Cappelli, Albeiro Restrepo, et al.
Page
of 13