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Journal of Chemical Theory and Computation
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February 19, 2021
Vibronic Spectra of π-Conjugated Systems with a Multitude of Coupled States: A Protocol Based on Linear Vibronic Coupling Models and Quantum Dynamics Tested on Hexahelicene
Daniel Aranda, Fabrizio Santoro
Chirality
|
May 24, 2020
The role of chlorine position in the electronic circular dichroism of chlorophenyl-ethanol investigated by vibronic calculations
Daniel Aranda, Fabrizio Santoro
Journal of Chemical Theory and Computation
|
September 3, 2016
Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates
Javier Cerezo, Fabrizio Santoro
Journal of Computational Chemistry
|
November 16, 2022
FCclasses3: Vibrationally-resolved spectra simulated at the edge of the harmonic approximation
Javier Cerezo, Fabrizio Santoro
The Journal of Physical Chemistry Letters
|
December 12, 2025
Quantum Dynamics Simulations Reveal Ultrafast and Coherent Charge Transfer in the <i>Lhca4</i> Antenna of Photosystem I
Piermarco Saraceno, Fabrizio Santoro, Lorenzo Cupellini
Chemical Reviews
|
March 2, 2016
Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases
Roberto Improta, Fabrizio Santoro, Lluís Blancafort
The Journal of Chemical Physics
|
May 12, 2009
On the controversial nature of the 1 1B(u) and 2 1B(u) states of trans-stilbene: the n-electron valence state perturbation theory approach
Celestino Angeli, Roberto Improta, Fabrizio Santoro
Journal of Computational Chemistry
|
October 30, 2007
Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case
Fabrizio Santoro, Vincenzo Barone, Roberto Improta
Physical Chemistry Chemical Physics : PCCP
|
December 4, 2012
Intermolecular exciton coupling and vibronic effects in solid-state circular dichroism: a case study
Gennaro Pescitelli, Daniele Padula, Fabrizio Santoro
Physical Chemistry Chemical Physics : PCCP
|
August 1, 2012
Comparison of vertical and adiabatic harmonic approaches for the calculation of the vibrational structure of electronic spectra
Francisco José Avila Ferrer, Fabrizio Santoro
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of 13
Search research articles
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Showing results (1-10 of 126) with videos related to
Sort By:
Page
of 13
Journal of Chemical Theory and Computation
|
February 19, 2021
Vibronic Spectra of π-Conjugated Systems with a Multitude of Coupled States: A Protocol Based on Linear Vibronic Coupling Models and Quantum Dynamics Tested on Hexahelicene
Daniel Aranda, Fabrizio Santoro
Chirality
|
May 24, 2020
The role of chlorine position in the electronic circular dichroism of chlorophenyl-ethanol investigated by vibronic calculations
Daniel Aranda, Fabrizio Santoro
Journal of Chemical Theory and Computation
|
September 3, 2016
Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates
Javier Cerezo, Fabrizio Santoro
Journal of Computational Chemistry
|
November 16, 2022
FCclasses3: Vibrationally-resolved spectra simulated at the edge of the harmonic approximation
Javier Cerezo, Fabrizio Santoro
The Journal of Physical Chemistry Letters
|
December 12, 2025
Quantum Dynamics Simulations Reveal Ultrafast and Coherent Charge Transfer in the <i>Lhca4</i> Antenna of Photosystem I
Piermarco Saraceno, Fabrizio Santoro, Lorenzo Cupellini
Chemical Reviews
|
March 2, 2016
Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases
Roberto Improta, Fabrizio Santoro, Lluís Blancafort
The Journal of Chemical Physics
|
May 12, 2009
On the controversial nature of the 1 1B(u) and 2 1B(u) states of trans-stilbene: the n-electron valence state perturbation theory approach
Celestino Angeli, Roberto Improta, Fabrizio Santoro
Journal of Computational Chemistry
|
October 30, 2007
Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case
Fabrizio Santoro, Vincenzo Barone, Roberto Improta
Physical Chemistry Chemical Physics : PCCP
|
December 4, 2012
Intermolecular exciton coupling and vibronic effects in solid-state circular dichroism: a case study
Gennaro Pescitelli, Daniele Padula, Fabrizio Santoro
Physical Chemistry Chemical Physics : PCCP
|
August 1, 2012
Comparison of vertical and adiabatic harmonic approaches for the calculation of the vibrational structure of electronic spectra
Francisco José Avila Ferrer, Fabrizio Santoro
Page
of 13