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Journal of Chemical Theory and Computation
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October 9, 2024
Second-Order Mass-Weighting Scheme for Atom-Centered Density Matrix Propagation Molecular Dynamics
Fulvio Perrella, Alessio Petrone, Nadia Rega
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
Chemical Science
|
April 21, 2018
The mechanism of a green fluorescent protein proton shuttle unveiled in the time-resolved frequency domain by excited state <i>ab initio</i> dynamics
Greta Donati, Alessio Petrone, Pasquale Caruso, et al.
ACS Physical Chemistry Au
|
February 2, 2026
Spectroscopic Exploration of Squaraine Dyes: Molecular Characterization of Fundamental, Combination, and Overtone Bands
Edoardo Buttarazzi, Vittoria Burigana, Elisabetta Collini, et al.
The Journal of Physical Chemistry. A
|
February 21, 2024
Evidence of Excited-State Vibrational Mode Governing the Photorelaxation of a Charge-Transfer Complex
Federico Coppola, Paola Cimino, Alessio Petrone, et al.
Journal of Chemical Theory and Computation
|
November 22, 2023
Watching the Interplay between Photoinduced Ultrafast Charge Dynamics and Nuclear Vibrations
Edoardo Buttarazzi, Fulvio Perrella, Nadia Rega, et al.
The Journal of Chemical Physics
|
September 24, 2025
Transient vibrational dynamics unveils the intricate mechanism of ultrafast photorelaxation in a molecular rotor
Raoul Carfora, Alessio Petrone, Federico Coppola, et al.
Molecules (Basel, Switzerland)
|
April 28, 2023
An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning
Fulvio Perrella, Federico Coppola, Nadia Rega, et al.
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Search research articles
Search
Showing results (1-10 of 45) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
October 9, 2024
Second-Order Mass-Weighting Scheme for Atom-Centered Density Matrix Propagation Molecular Dynamics
Fulvio Perrella, Alessio Petrone, Nadia Rega
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
Chemical Science
|
April 21, 2018
The mechanism of a green fluorescent protein proton shuttle unveiled in the time-resolved frequency domain by excited state <i>ab initio</i> dynamics
Greta Donati, Alessio Petrone, Pasquale Caruso, et al.
ACS Physical Chemistry Au
|
February 2, 2026
Spectroscopic Exploration of Squaraine Dyes: Molecular Characterization of Fundamental, Combination, and Overtone Bands
Edoardo Buttarazzi, Vittoria Burigana, Elisabetta Collini, et al.
The Journal of Physical Chemistry. A
|
February 21, 2024
Evidence of Excited-State Vibrational Mode Governing the Photorelaxation of a Charge-Transfer Complex
Federico Coppola, Paola Cimino, Alessio Petrone, et al.
Journal of Chemical Theory and Computation
|
November 22, 2023
Watching the Interplay between Photoinduced Ultrafast Charge Dynamics and Nuclear Vibrations
Edoardo Buttarazzi, Fulvio Perrella, Nadia Rega, et al.
The Journal of Chemical Physics
|
September 24, 2025
Transient vibrational dynamics unveils the intricate mechanism of ultrafast photorelaxation in a molecular rotor
Raoul Carfora, Alessio Petrone, Federico Coppola, et al.
Molecules (Basel, Switzerland)
|
April 28, 2023
An Expedited Route to Optical and Electronic Properties at Finite Temperature via Unsupervised Learning
Fulvio Perrella, Federico Coppola, Nadia Rega, et al.
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