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Physical Chemistry Chemical Physics : PCCP
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August 2, 2021
A computational study of the vibronic effects on the electronic spectra and the photophysics of aza[7]helicene
Yanli Liu, Daniel Aranda, Fabrizio Santoro
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 14, 2008
Absorption spectrum of A-T DNA unraveled by quantum mechanical calculations in solution on the (dA)2 x (dT)2 tetramer
Fabrizio Santoro, Vincenzo Barone, Roberto Improta
The Journal of Physical Chemistry. B
|
December 7, 2007
Accurate steady-state and zero-time fluorescence spectra of large molecules in solution by a first-principle computational method
Roberto Improta, Vincenzo Barone, Fabrizio Santoro
The Journal of Chemical Physics
|
July 5, 2012
Hierarchical transformation of Hamiltonians with linear and quadratic couplings for nonadiabatic quantum dynamics: application to the ππ∗∕nπ∗ internal conversion in thymine
David Picconi, Alessandro Lami, Fabrizio Santoro
Journal of Chemical Theory and Computation
|
November 25, 2015
Effective Time-Independent Calculations of Vibrational Resonance Raman Spectra of Isolated and Solvated Molecules Including Duschinsky and Herzberg-Teller Effects
Fabrizio Santoro, Chiara Cappelli, Vincenzo Barone
Accounts of Chemical Research
|
July 14, 2022
Nucleic Acids as a Playground for the Computational Study of the Photophysics and Photochemistry of Multichromophore Assemblies
Lara Martínez Fernández, Fabrizio Santoro, Roberto Improta
The Journal of Physical Chemistry. A
|
December 2, 2025
First and Second Order Expansions for Origin Independent Vibronic Calculations of Electronic Chiroptical Spectra Beyond the Franck-Condon Approximation
José A Quiñonero, Fabrizio Santoro, Javier Cerezo
Journal of Chemical Theory and Computation
|
November 27, 2015
Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems
Vincenzo Barone, Julien Bloino, Malgorzata Biczysko, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 10, 2024
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene
Javier Cerezo, Johannes Gierschner, Fabrizio Santoro, et al.
The Journal of Chemical Physics
|
May 19, 2007
Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution
Fabrizio Santoro, Alessandro Lami, Roberto Improta, et al.
Page
of 13
Search research articles
Search
Showing results (11-20 of 126) with videos related to
Sort By:
Page
of 13
Physical Chemistry Chemical Physics : PCCP
|
August 2, 2021
A computational study of the vibronic effects on the electronic spectra and the photophysics of aza[7]helicene
Yanli Liu, Daniel Aranda, Fabrizio Santoro
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 14, 2008
Absorption spectrum of A-T DNA unraveled by quantum mechanical calculations in solution on the (dA)2 x (dT)2 tetramer
Fabrizio Santoro, Vincenzo Barone, Roberto Improta
The Journal of Physical Chemistry. B
|
December 7, 2007
Accurate steady-state and zero-time fluorescence spectra of large molecules in solution by a first-principle computational method
Roberto Improta, Vincenzo Barone, Fabrizio Santoro
The Journal of Chemical Physics
|
July 5, 2012
Hierarchical transformation of Hamiltonians with linear and quadratic couplings for nonadiabatic quantum dynamics: application to the ππ∗∕nπ∗ internal conversion in thymine
David Picconi, Alessandro Lami, Fabrizio Santoro
Journal of Chemical Theory and Computation
|
November 25, 2015
Effective Time-Independent Calculations of Vibrational Resonance Raman Spectra of Isolated and Solvated Molecules Including Duschinsky and Herzberg-Teller Effects
Fabrizio Santoro, Chiara Cappelli, Vincenzo Barone
Accounts of Chemical Research
|
July 14, 2022
Nucleic Acids as a Playground for the Computational Study of the Photophysics and Photochemistry of Multichromophore Assemblies
Lara Martínez Fernández, Fabrizio Santoro, Roberto Improta
The Journal of Physical Chemistry. A
|
December 2, 2025
First and Second Order Expansions for Origin Independent Vibronic Calculations of Electronic Chiroptical Spectra Beyond the Franck-Condon Approximation
José A Quiñonero, Fabrizio Santoro, Javier Cerezo
Journal of Chemical Theory and Computation
|
November 27, 2015
Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems
Vincenzo Barone, Julien Bloino, Malgorzata Biczysko, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 10, 2024
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene
Javier Cerezo, Johannes Gierschner, Fabrizio Santoro, et al.
The Journal of Chemical Physics
|
May 19, 2007
Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution
Fabrizio Santoro, Alessandro Lami, Roberto Improta, et al.
Page
of 13