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The Journal of Chemical Physics
|
September 17, 2016
Real time propagation of the exact two component time-dependent density functional theory
Joshua J Goings, Joseph M Kasper, Franco Egidi, et al.
Journal of Chemical Theory and Computation
|
January 15, 2021
Multilevel Density Functional Theory
Gioia Marrazzini, Tommaso Giovannini, Marco Scavino, et al.
Chirality
|
May 5, 2018
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions
Franco Egidi, Marco Fusè, Alberto Baiardi, et al.
The Journal of Physical Chemistry. A
|
January 9, 2015
The electronic circular dichroism of nicotine in aqueous solution: a test case for continuum and mixed explicit-continuum solvation approaches
Franco Egidi, Rosario Russo, Ivan Carnimeo, et al.
Journal of Computational Chemistry
|
November 20, 2014
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool
Daniele Licari, Alberto Baiardi, Malgorzata Biczysko, et al.
The Journal of Physical Chemistry Letters
|
June 30, 2022
Amide Spectral Fingerprints are Hydrogen Bonding-Mediated
Sara Gómez, Cettina Bottari, Franco Egidi, et al.
Journal of Chemical Theory and Computation
|
August 3, 2017
Polarizable Embedding Approach for the Analytical Calculation of Raman and Raman Optical Activity Spectra of Solvated Systems
Tommaso Giovannini, Marta Olszówka, Franco Egidi, 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.
Journal of Chemical Theory and Computation
|
May 9, 2017
Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations
Franco Egidi, Shichao Sun, Joshua J Goings, et al.
Chembiochem : a European Journal of Chemical Biology
|
September 28, 2020
Binding of SARS-CoV-2 to Cell Receptors: A Tale of Molecular Evolution
Santiago A Gómez, Natalia Rojas-Valencia, Sara Gómez, et al.
Page
of 4
Search research articles
Search
Showing results (21-30 of 34) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
September 17, 2016
Real time propagation of the exact two component time-dependent density functional theory
Joshua J Goings, Joseph M Kasper, Franco Egidi, et al.
Journal of Chemical Theory and Computation
|
January 15, 2021
Multilevel Density Functional Theory
Gioia Marrazzini, Tommaso Giovannini, Marco Scavino, et al.
Chirality
|
May 5, 2018
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions
Franco Egidi, Marco Fusè, Alberto Baiardi, et al.
The Journal of Physical Chemistry. A
|
January 9, 2015
The electronic circular dichroism of nicotine in aqueous solution: a test case for continuum and mixed explicit-continuum solvation approaches
Franco Egidi, Rosario Russo, Ivan Carnimeo, et al.
Journal of Computational Chemistry
|
November 20, 2014
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool
Daniele Licari, Alberto Baiardi, Malgorzata Biczysko, et al.
The Journal of Physical Chemistry Letters
|
June 30, 2022
Amide Spectral Fingerprints are Hydrogen Bonding-Mediated
Sara Gómez, Cettina Bottari, Franco Egidi, et al.
Journal of Chemical Theory and Computation
|
August 3, 2017
Polarizable Embedding Approach for the Analytical Calculation of Raman and Raman Optical Activity Spectra of Solvated Systems
Tommaso Giovannini, Marta Olszówka, Franco Egidi, 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.
Journal of Chemical Theory and Computation
|
May 9, 2017
Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations
Franco Egidi, Shichao Sun, Joshua J Goings, et al.
Chembiochem : a European Journal of Chemical Biology
|
September 28, 2020
Binding of SARS-CoV-2 to Cell Receptors: A Tale of Molecular Evolution
Santiago A Gómez, Natalia Rojas-Valencia, Sara Gómez, et al.
Page
of 4