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Journal of Chemical Theory and Computation
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July 21, 2020
Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study
Martha Yaghoubi Jouybari, Yanli Liu, Roberto Improta, et al.
The Journal of Physical Chemistry. A
|
October 5, 2021
The Ultrafast Quantum Dynamics of Photoexcited Adenine-Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model
Martha Yaghoubi Jouybari, James A Green, Roberto Improta, et al.
The Journal of Chemical Physics
|
June 17, 2008
Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: the Qx band of porphyrin as a case study
Fabrizio Santoro, Alessandro Lami, Roberto Improta, et al.
The Journal of Chemical Physics
|
September 1, 2006
Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation
Patrick Nuernberger, Gerhard Vogt, Gustav Gerber, et al.
The Journal of Physical Chemistry. A
|
March 27, 2013
Electronic circular dichroism in exciton-coupled dimers: vibronic spectra from a general all-coordinates quantum-dynamical approach
Daniele Padula, David Picconi, Alessandro Lami, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 12, 2014
Quantum-classical calculation of the absorption and emission spectral shapes of oligothiophenes at low and room temperature by first-principle calculations
Roberto Improta, Francisco J Avila Ferrer, Emiliano Stendardo, et al.
The Journal of Physical Chemistry Letters
|
December 10, 2016
Quantum-Classical Calculation of Vibronic Spectra along a Reaction Path: The Case of the ECD of Easily Interconvertible Conformers with Opposite Chiral Responses
Javier Cerezo, Giuseppe Mazzeo, Giovanna Longhi, et al.
The Journal of Physical Chemistry. A
|
November 13, 2008
Vibronically resolved electronic circular dichroism spectra of (R)-(+)-3-methylcyclopentanone: a theoretical study
Na Lin, Fabrizio Santoro, Xian Zhao, et al.
Journal of Chemical Theory and Computation
|
October 30, 2020
Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution
Alekos Segalina, Javier Cerezo, Giacomo Prampolini, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 1, 2011
Computing the inhomogeneous broadening of electronic transitions in solution: a first-principle quantum mechanical approach
Francisco José Avila Ferrer, Roberto Improta, Fabrizio Santoro, et al.
Page
of 13
Search research articles
Search
Showing results (31-40 of 126) with videos related to
Sort By:
Page
of 13
Journal of Chemical Theory and Computation
|
July 21, 2020
Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study
Martha Yaghoubi Jouybari, Yanli Liu, Roberto Improta, et al.
The Journal of Physical Chemistry. A
|
October 5, 2021
The Ultrafast Quantum Dynamics of Photoexcited Adenine-Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model
Martha Yaghoubi Jouybari, James A Green, Roberto Improta, et al.
The Journal of Chemical Physics
|
June 17, 2008
Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: the Qx band of porphyrin as a case study
Fabrizio Santoro, Alessandro Lami, Roberto Improta, et al.
The Journal of Chemical Physics
|
September 1, 2006
Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation
Patrick Nuernberger, Gerhard Vogt, Gustav Gerber, et al.
The Journal of Physical Chemistry. A
|
March 27, 2013
Electronic circular dichroism in exciton-coupled dimers: vibronic spectra from a general all-coordinates quantum-dynamical approach
Daniele Padula, David Picconi, Alessandro Lami, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 12, 2014
Quantum-classical calculation of the absorption and emission spectral shapes of oligothiophenes at low and room temperature by first-principle calculations
Roberto Improta, Francisco J Avila Ferrer, Emiliano Stendardo, et al.
The Journal of Physical Chemistry Letters
|
December 10, 2016
Quantum-Classical Calculation of Vibronic Spectra along a Reaction Path: The Case of the ECD of Easily Interconvertible Conformers with Opposite Chiral Responses
Javier Cerezo, Giuseppe Mazzeo, Giovanna Longhi, et al.
The Journal of Physical Chemistry. A
|
November 13, 2008
Vibronically resolved electronic circular dichroism spectra of (R)-(+)-3-methylcyclopentanone: a theoretical study
Na Lin, Fabrizio Santoro, Xian Zhao, et al.
Journal of Chemical Theory and Computation
|
October 30, 2020
Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution
Alekos Segalina, Javier Cerezo, Giacomo Prampolini, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 1, 2011
Computing the inhomogeneous broadening of electronic transitions in solution: a first-principle quantum mechanical approach
Francisco José Avila Ferrer, Roberto Improta, Fabrizio Santoro, et al.
Page
of 13