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Journal of Computational Chemistry
|
March 23, 2002
Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution
Caterina Benzi, Roberto Improta, Giovanni Scalmani, 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.
Molecules (Basel, Switzerland)
|
February 20, 2020
Excited State Dynamics of 8-Vinyldeoxyguanosine In Aqueous Solution Studied by Time-Resolved Fluorescence Spectroscopy and Quantum Mechanical Calculations
Lara Martinez-Fernandez, Thomas Gustavsson, Ulf Diederichsen, et al.
The Journal of Physical Chemistry. A
|
March 11, 2015
Ultrafast Excited-State Deactivation of 8-Hydroxy-2'-deoxyguanosine Studied by Femtosecond Fluorescence Spectroscopy and Quantum-Chemical Calculations
Pascale Changenet-Barret, Thomas Gustavsson, Roberto Improta, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 14, 2020
Quantum dynamics of the ππ*/nπ* decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phase
Martha Yaghoubi Jouybari, Yanli Liu, Roberto Improta, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 24, 2018
Topology Controls the Electronic Absorption and Delocalization of Electron Holes in Guanine Quadruplexes
Lara Martínez-Fernández, Akos Banyasz, Dimitra Markovitsi, et al.
The Journal of Chemical Physics
|
September 1, 2006
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
Roberto Improta, Vincenzo Barone, Giovanni Scalmani, et al.
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.
Journal of Chemical Theory and Computation
|
December 30, 2020
Excitonic Model for Strongly Coupled Multichromophoric Systems: The Electronic Circular Dichroism Spectra of Guanine Quadruplexes as Test Cases
James A Green, Haritha Asha, Fabrizio Santoro, et al.
The Journal of Chemical Physics
|
August 28, 2007
Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach
Roberto Improta, Giovanni Scalmani, Michael J Frisch, et al.
Page
of 15
Search research articles
Search
Showing results (41-50 of 143) with videos related to
Sort By:
Page
of 15
Journal of Computational Chemistry
|
March 23, 2002
Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution
Caterina Benzi, Roberto Improta, Giovanni Scalmani, 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.
Molecules (Basel, Switzerland)
|
February 20, 2020
Excited State Dynamics of 8-Vinyldeoxyguanosine In Aqueous Solution Studied by Time-Resolved Fluorescence Spectroscopy and Quantum Mechanical Calculations
Lara Martinez-Fernandez, Thomas Gustavsson, Ulf Diederichsen, et al.
The Journal of Physical Chemistry. A
|
March 11, 2015
Ultrafast Excited-State Deactivation of 8-Hydroxy-2'-deoxyguanosine Studied by Femtosecond Fluorescence Spectroscopy and Quantum-Chemical Calculations
Pascale Changenet-Barret, Thomas Gustavsson, Roberto Improta, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 14, 2020
Quantum dynamics of the ππ*/nπ* decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phase
Martha Yaghoubi Jouybari, Yanli Liu, Roberto Improta, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 24, 2018
Topology Controls the Electronic Absorption and Delocalization of Electron Holes in Guanine Quadruplexes
Lara Martínez-Fernández, Akos Banyasz, Dimitra Markovitsi, et al.
The Journal of Chemical Physics
|
September 1, 2006
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
Roberto Improta, Vincenzo Barone, Giovanni Scalmani, et al.
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.
Journal of Chemical Theory and Computation
|
December 30, 2020
Excitonic Model for Strongly Coupled Multichromophoric Systems: The Electronic Circular Dichroism Spectra of Guanine Quadruplexes as Test Cases
James A Green, Haritha Asha, Fabrizio Santoro, et al.
The Journal of Chemical Physics
|
August 28, 2007
Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach
Roberto Improta, Giovanni Scalmani, Michael J Frisch, et al.
Page
of 15