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International Journal of Molecular Sciences
|
December 23, 2022
Direct or Indirect ESPT Mechanism in CFP psamFP488? A Theoretical-Computational Investigation
Greta Donati, 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
Journal of Chemical Theory and Computation
|
September 21, 2020
Time-Resolved Vibrational Analysis of Excited State Ab Initio Molecular Dynamics to Understand Photorelaxation: The Case of the Pyranine Photoacid in Aqueous Solution
Maria Gabriella Chiariello, Greta Donati, Nadia Rega
Journal of the American Chemical Society
|
September 23, 2014
Understanding THz and IR signals beneath time-resolved fluorescence from excited-state ab initio dynamics
Alessio Petrone, Greta Donati, Pasquale Caruso, et al.
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.
The Journal of Physical Chemistry. A
|
April 26, 2021
Water-Mediated Excited State Proton Transfer of Pyranine-Acetate in Aqueous Solution: Vibrational Fingerprints from Ab Initio Molecular Dynamics
Maria Gabriella Chiariello, Umberto Raucci, Greta Donati, et al.
Journal of Chemical Theory and Computation
|
December 5, 2018
Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model
Andrew Wildman, Greta Donati, Filippo Lipparini, et al.
Frontiers in Molecular Biosciences
|
November 16, 2020
A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From <i>ab initio</i> Molecular Dynamics
Federico Coppola, Fulvio Perrella, Alessio Petrone, et al.
The Journal of Physical Chemistry. B
|
September 2, 2021
Structural Origin and Vibrational Fingerprints of the Ultrafast Excited State Proton Transfer of the Pyranine-Acetate Complex in Aqueous Solution
Maria Gabriella Chiariello, Greta Donati, Umberto Raucci, et al.
The Journal of Physical Chemistry. A
|
August 30, 2016
"Watching" Polaron Pair Formation from First-Principles Electron-Nuclear Dynamics
Greta Donati, David B Lingerfelt, Alessio Petrone, et al.
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Search research articles
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Showing results (1-10 of 36) with videos related to
Sort By:
Page
of 4
International Journal of Molecular Sciences
|
December 23, 2022
Direct or Indirect ESPT Mechanism in CFP psamFP488? A Theoretical-Computational Investigation
Greta Donati, 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
Journal of Chemical Theory and Computation
|
September 21, 2020
Time-Resolved Vibrational Analysis of Excited State Ab Initio Molecular Dynamics to Understand Photorelaxation: The Case of the Pyranine Photoacid in Aqueous Solution
Maria Gabriella Chiariello, Greta Donati, Nadia Rega
Journal of the American Chemical Society
|
September 23, 2014
Understanding THz and IR signals beneath time-resolved fluorescence from excited-state ab initio dynamics
Alessio Petrone, Greta Donati, Pasquale Caruso, et al.
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.
The Journal of Physical Chemistry. A
|
April 26, 2021
Water-Mediated Excited State Proton Transfer of Pyranine-Acetate in Aqueous Solution: Vibrational Fingerprints from Ab Initio Molecular Dynamics
Maria Gabriella Chiariello, Umberto Raucci, Greta Donati, et al.
Journal of Chemical Theory and Computation
|
December 5, 2018
Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model
Andrew Wildman, Greta Donati, Filippo Lipparini, et al.
Frontiers in Molecular Biosciences
|
November 16, 2020
A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From <i>ab initio</i> Molecular Dynamics
Federico Coppola, Fulvio Perrella, Alessio Petrone, et al.
The Journal of Physical Chemistry. B
|
September 2, 2021
Structural Origin and Vibrational Fingerprints of the Ultrafast Excited State Proton Transfer of the Pyranine-Acetate Complex in Aqueous Solution
Maria Gabriella Chiariello, Greta Donati, Umberto Raucci, et al.
The Journal of Physical Chemistry. A
|
August 30, 2016
"Watching" Polaron Pair Formation from First-Principles Electron-Nuclear Dynamics
Greta Donati, David B Lingerfelt, Alessio Petrone, et al.
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of 4