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Nadia Rega

Showing results (51-60 of 69) with videos related to

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The Journal of Physical Chemistry. B|July 27, 2006
Understanding electron transfer across negatively-charged Aib oligopeptidesRoberto Improta, Sabrina Antonello, Fernando Formaggio, et al.
The Journal of Physical Chemistry. A|September 29, 2022
Electronic and Vibrational Manifold of Tetracyanoethylene-Chloronaphthalene Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio Molecular DynamicsFederico Coppola, Paola Cimino, Fulvio Perrella, et al.
Chemical Science|July 1, 2021
Exploring the Franck-Condon region of a photoexcited charge transfer complex in solution to interpret femtosecond stimulated Raman spectroscopy: excited state electronic structure methods to unveil non-radiative pathwaysFederico Coppola, Paola Cimino, Umberto Raucci, et al.
Physical Chemistry Chemical Physics : PCCP|August 28, 2014
Non-radiative decay paths in rhodamines: new theoretical insightsMarika Savarese, Umberto Raucci, Carlo Adamo, et al.
The Journal of Physical Chemistry. A|May 17, 2024
Monitoring Density Redistribution at the Excited State in a Dual Emitting Molecule: An Analysis Based on Real-Time Density Functional Theory and Density DescriptorsFeven-Alemu Korsaye, Fulvio Perrella, Alessio Petrone, et al.
Journal of Computational Chemistry|April 15, 2017
Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case studyMarika Savarese, Umberto Raucci, Ryoichi Fukuda, et al.
Proteins|November 16, 2005
A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutantsVincenzo Barone, Francesca De Rienzo, Emma Langella, et al.
Journal of Chemical Theory and Computation|August 30, 2016
On the Driving Force of the Excited-State Proton Shuttle in the Green Fluorescent Protein: A Time-Dependent Density Functional Theory (TD-DFT) Study of the Intrinsic Reaction PathAlessio Petrone, Paola Cimino, Greta Donati, et al.
Journal of Computational Chemistry|June 6, 2020
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactionsUmberto Raucci, Maria Gabriella Chiariello, Federico Coppola, et al.
Biopolymers|August 10, 2018
Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigationFulvio Perrella, Umberto Raucci, Maria Gabriella Chiariello, et al.
Pageof 7

Showing results (51-60 of 69) with videos related to

Sort By:
Pageof 7
The Journal of Physical Chemistry. B|July 27, 2006
Understanding electron transfer across negatively-charged Aib oligopeptidesRoberto Improta, Sabrina Antonello, Fernando Formaggio, et al.
The Journal of Physical Chemistry. A|September 29, 2022
Electronic and Vibrational Manifold of Tetracyanoethylene-Chloronaphthalene Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio Molecular DynamicsFederico Coppola, Paola Cimino, Fulvio Perrella, et al.
Chemical Science|July 1, 2021
Exploring the Franck-Condon region of a photoexcited charge transfer complex in solution to interpret femtosecond stimulated Raman spectroscopy: excited state electronic structure methods to unveil non-radiative pathwaysFederico Coppola, Paola Cimino, Umberto Raucci, et al.
Physical Chemistry Chemical Physics : PCCP|August 28, 2014
Non-radiative decay paths in rhodamines: new theoretical insightsMarika Savarese, Umberto Raucci, Carlo Adamo, et al.
The Journal of Physical Chemistry. A|May 17, 2024
Monitoring Density Redistribution at the Excited State in a Dual Emitting Molecule: An Analysis Based on Real-Time Density Functional Theory and Density DescriptorsFeven-Alemu Korsaye, Fulvio Perrella, Alessio Petrone, et al.
Journal of Computational Chemistry|April 15, 2017
Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case studyMarika Savarese, Umberto Raucci, Ryoichi Fukuda, et al.
Proteins|November 16, 2005
A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutantsVincenzo Barone, Francesca De Rienzo, Emma Langella, et al.
Journal of Chemical Theory and Computation|August 30, 2016
On the Driving Force of the Excited-State Proton Shuttle in the Green Fluorescent Protein: A Time-Dependent Density Functional Theory (TD-DFT) Study of the Intrinsic Reaction PathAlessio Petrone, Paola Cimino, Greta Donati, et al.
Journal of Computational Chemistry|June 6, 2020
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactionsUmberto Raucci, Maria Gabriella Chiariello, Federico Coppola, et al.
Biopolymers|August 10, 2018
Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigationFulvio Perrella, Umberto Raucci, Maria Gabriella Chiariello, et al.
Pageof 7