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Journal of Chemical Theory and Computation
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December 2, 2015
Thermochemistry of Hydrocarbons. Back to Extended Hückel Theory
Alexander A Voityuk
Physical Chemistry Chemical Physics : PCCP
|
November 21, 2017
Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations
Lluís Blancafort, Alexander A Voityuk
Physical Chemistry Chemical Physics : PCCP
|
February 2, 2018
Thermally induced hopping model for long-range triplet excitation energy transfer in DNA
Lluís Blancafort, Alexander A Voityuk
The Journal of Physical Chemistry. A
|
August 30, 2008
Parameters for excess electron transfer in DNA. Estimation using unoccupied Kohn-Sham orbitals and TD DFT
Martín Félix, Alexander A Voityuk
The Journal of Physical Chemistry. B
|
June 14, 2008
Pi stack structure and hole transfer couplings in DNA hairpins and DNA. A combined QM/MD study
Khatcharin Siriwong, Alexander A Voityuk
The Journal of Physical Chemistry. A
|
July 8, 2016
Photoinduced Charge Separation in the Carbon Nano-Onion C60@C240
Alexander A Voityuk, Miquel Solà
The Journal of Chemical Physics
|
March 11, 2014
Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: an MS-CASPT2 study
Lluís Blancafort, Alexander A Voityuk
The Journal of Physical Chemistry. A
|
May 10, 2007
MS-CASPT2 calculation of excess electron transfer in stacked DNA nucleobases
Lluís Blancafort, Alexander A Voityuk
The Journal of Physical Chemistry. A
|
May 19, 2006
CASSCF/CAS-PT2 study of hole transfer in stacked DNA nucleobases
Lluís Blancafort, Alexander A Voityuk
Journal of Chemical Information and Modeling
|
September 15, 2021
Solvation Free Energies for Aqueous and Nonaqueous Solutions Computed Using PM7 Atomic Charges
Sergei F Vyboishchikov, Alexander A Voityuk
Page
of 8
Search research articles
Search
Showing results (21-30 of 74) with videos related to
Sort By:
Page
of 8
Journal of Chemical Theory and Computation
|
December 2, 2015
Thermochemistry of Hydrocarbons. Back to Extended Hückel Theory
Alexander A Voityuk
Physical Chemistry Chemical Physics : PCCP
|
November 21, 2017
Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations
Lluís Blancafort, Alexander A Voityuk
Physical Chemistry Chemical Physics : PCCP
|
February 2, 2018
Thermally induced hopping model for long-range triplet excitation energy transfer in DNA
Lluís Blancafort, Alexander A Voityuk
The Journal of Physical Chemistry. A
|
August 30, 2008
Parameters for excess electron transfer in DNA. Estimation using unoccupied Kohn-Sham orbitals and TD DFT
Martín Félix, Alexander A Voityuk
The Journal of Physical Chemistry. B
|
June 14, 2008
Pi stack structure and hole transfer couplings in DNA hairpins and DNA. A combined QM/MD study
Khatcharin Siriwong, Alexander A Voityuk
The Journal of Physical Chemistry. A
|
July 8, 2016
Photoinduced Charge Separation in the Carbon Nano-Onion C60@C240
Alexander A Voityuk, Miquel Solà
The Journal of Chemical Physics
|
March 11, 2014
Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: an MS-CASPT2 study
Lluís Blancafort, Alexander A Voityuk
The Journal of Physical Chemistry. A
|
May 10, 2007
MS-CASPT2 calculation of excess electron transfer in stacked DNA nucleobases
Lluís Blancafort, Alexander A Voityuk
The Journal of Physical Chemistry. A
|
May 19, 2006
CASSCF/CAS-PT2 study of hole transfer in stacked DNA nucleobases
Lluís Blancafort, Alexander A Voityuk
Journal of Chemical Information and Modeling
|
September 15, 2021
Solvation Free Energies for Aqueous and Nonaqueous Solutions Computed Using PM7 Atomic Charges
Sergei F Vyboishchikov, Alexander A Voityuk
Page
of 8