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International Journal of Molecular Sciences
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December 23, 2022
Direct or Indirect ESPT Mechanism in CFP psamFP488? A Theoretical-Computational Investigation
Greta Donati, Nadia Rega
The Journal of Physical Chemistry. A
|
February 22, 2018
Exploring Nuclear Photorelaxation of Pyranine in Aqueous Solution: an Integrated Ab-Initio Molecular Dynamics and Time Resolved Vibrational Analysis Approach
Maria Gabriella Chiariello, Nadia Rega
Frontiers in Chemistry
|
August 15, 2024
Editorial: Hot topic: excited state processes in biomolecules
Chong Fang, Nadia Rega, Malgorzata Biczysko
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2020
Multiresolution continuous wavelet transform for studying coupled solute-solvent vibrations <i>via ab initio</i> molecular dynamics
Greta Donati, Alessio Petrone, Nadia Rega
Physical Chemistry Chemical Physics : PCCP
|
October 20, 2021
Direct observation of the solvent organization and nuclear vibrations of [Ru(dcbpy)<sub>2</sub>(NCS)<sub>2</sub>]<sup>4-</sup>, [dcbpy = (4,4'-dicarboxy-2,2'-bipyridine)], <i>via ab initio</i> molecular dynamics
Fulvio Perrella, Alessio Petrone, Nadia Rega
Journal of Chemical Theory and Computation
|
January 5, 2023
Understanding Charge Dynamics in Dense Electronic Manifolds in Complex Environments
Fulvio Perrella, Alessio Petrone, Nadia Rega
Journal of the American Chemical Society
|
November 17, 2007
Unraveling the role of stereo-electronic, dynamical, and environmental effects in tuning the structure and magnetic properties of glycine radical in aqueous solution at different pH values
Giuseppe Brancato, Nadia Rega, Vincenzo Barone
Physical Review Letters
|
March 21, 2008
Accurate density functional calculations of near-edge x-ray and optical absorption spectra of liquid water using nonperiodic boundary conditions: the role of self-interaction and long-range effects
Giuseppe Brancato, Nadia Rega, Vincenzo Barone
Physical Chemistry Chemical Physics : PCCP
|
July 9, 2010
Uracil anion radical in aqueous solution: thermodynamics versus spectroscopy
Giuseppe Brancato, Nadia Rega, Vincenzo Barone
The Journal of Chemical Physics
|
June 16, 2006
Reliable molecular simulations of solute-solvent systems with a minimum number of solvent shells
Giuseppe Brancato, Nadia Rega, Vincenzo Barone
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Search research articles
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Showing results (1-10 of 69) with videos related to
Sort By:
Page
of 7
International Journal of Molecular Sciences
|
December 23, 2022
Direct or Indirect ESPT Mechanism in CFP psamFP488? A Theoretical-Computational Investigation
Greta Donati, Nadia Rega
The Journal of Physical Chemistry. A
|
February 22, 2018
Exploring Nuclear Photorelaxation of Pyranine in Aqueous Solution: an Integrated Ab-Initio Molecular Dynamics and Time Resolved Vibrational Analysis Approach
Maria Gabriella Chiariello, Nadia Rega
Frontiers in Chemistry
|
August 15, 2024
Editorial: Hot topic: excited state processes in biomolecules
Chong Fang, Nadia Rega, Malgorzata Biczysko
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2020
Multiresolution continuous wavelet transform for studying coupled solute-solvent vibrations <i>via ab initio</i> molecular dynamics
Greta Donati, Alessio Petrone, Nadia Rega
Physical Chemistry Chemical Physics : PCCP
|
October 20, 2021
Direct observation of the solvent organization and nuclear vibrations of [Ru(dcbpy)<sub>2</sub>(NCS)<sub>2</sub>]<sup>4-</sup>, [dcbpy = (4,4'-dicarboxy-2,2'-bipyridine)], <i>via ab initio</i> molecular dynamics
Fulvio Perrella, Alessio Petrone, Nadia Rega
Journal of Chemical Theory and Computation
|
January 5, 2023
Understanding Charge Dynamics in Dense Electronic Manifolds in Complex Environments
Fulvio Perrella, Alessio Petrone, Nadia Rega
Journal of the American Chemical Society
|
November 17, 2007
Unraveling the role of stereo-electronic, dynamical, and environmental effects in tuning the structure and magnetic properties of glycine radical in aqueous solution at different pH values
Giuseppe Brancato, Nadia Rega, Vincenzo Barone
Physical Review Letters
|
March 21, 2008
Accurate density functional calculations of near-edge x-ray and optical absorption spectra of liquid water using nonperiodic boundary conditions: the role of self-interaction and long-range effects
Giuseppe Brancato, Nadia Rega, Vincenzo Barone
Physical Chemistry Chemical Physics : PCCP
|
July 9, 2010
Uracil anion radical in aqueous solution: thermodynamics versus spectroscopy
Giuseppe Brancato, Nadia Rega, Vincenzo Barone
The Journal of Chemical Physics
|
June 16, 2006
Reliable molecular simulations of solute-solvent systems with a minimum number of solvent shells
Giuseppe Brancato, Nadia Rega, Vincenzo Barone
Page
of 7