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Journal of Computational Chemistry
|
May 18, 2016
PyFREC: Software for Förster electronic coupling evaluation in molecular fragments
Dmytro Kosenkov
The Journal of Physical Chemistry. A
|
December 24, 2010
Solvent effects on the electronic transitions of p-nitroaniline: a QM/EFP study
Dmytro Kosenkov, Lyudmila V Slipchenko
The Journal of Physical Chemistry. B
|
January 31, 2015
Thermodynamics of binding of di- and tetrasubstituted naphthalene diimide ligands to DNA G-quadruplex
Gary Prato, Samantha Silvent, Sammy Saka, et al.
The Journal of Physical Chemistry. B
|
December 12, 2007
Tautomeric equilibrium, stability, and hydrogen bonding in 2'-deoxyguanosine monophosphate complexed with Mg2+
Dmytro Kosenkov, Leonid Gorb, Oleg V Shishkin, et al.
Journal of Computational Chemistry
|
December 16, 2017
Excitation energy transfer pathways in light-harvesting proteins: Modeling with PyFREC
Yana Kholod, Michael DeFilippo, Brittany Reed, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
February 12, 2008
CL-20 photodecomposition: ab initio foundations for identification of products
Yana Kholod, Dmytro Kosenkov, Sergiy Okovytyy, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Erratum: Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set
Joanna C Flick, Dmytro Kosenkov, Edward G Hohenstein, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set
Joanna C Flick, Dmytro Kosenkov, Edward G Hohenstein, et al.
The Journal of Physical Chemistry. B
|
April 9, 2009
Ab initio kinetic simulation of gas-phase experiments: tautomerization of cytosine and guanine
Dmytro Kosenkov, Yana Kholod, Leonid Gorb, et al.
The Journal of Physical Chemistry. A
|
July 28, 2009
Effect of a pH change on the conformational stability of the modified nucleotide queuosine monophosphate
Dmytro Kosenkov, Yana A Kholod, Leonid Gorb, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Journal of Computational Chemistry
|
May 18, 2016
PyFREC: Software for Förster electronic coupling evaluation in molecular fragments
Dmytro Kosenkov
The Journal of Physical Chemistry. A
|
December 24, 2010
Solvent effects on the electronic transitions of p-nitroaniline: a QM/EFP study
Dmytro Kosenkov, Lyudmila V Slipchenko
The Journal of Physical Chemistry. B
|
January 31, 2015
Thermodynamics of binding of di- and tetrasubstituted naphthalene diimide ligands to DNA G-quadruplex
Gary Prato, Samantha Silvent, Sammy Saka, et al.
The Journal of Physical Chemistry. B
|
December 12, 2007
Tautomeric equilibrium, stability, and hydrogen bonding in 2'-deoxyguanosine monophosphate complexed with Mg2+
Dmytro Kosenkov, Leonid Gorb, Oleg V Shishkin, et al.
Journal of Computational Chemistry
|
December 16, 2017
Excitation energy transfer pathways in light-harvesting proteins: Modeling with PyFREC
Yana Kholod, Michael DeFilippo, Brittany Reed, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
February 12, 2008
CL-20 photodecomposition: ab initio foundations for identification of products
Yana Kholod, Dmytro Kosenkov, Sergiy Okovytyy, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Erratum: Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set
Joanna C Flick, Dmytro Kosenkov, Edward G Hohenstein, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Accurate Prediction of Noncovalent Interaction Energies with the Effective Fragment Potential Method: Comparison of Energy Components to Symmetry-Adapted Perturbation Theory for the S22 Test Set
Joanna C Flick, Dmytro Kosenkov, Edward G Hohenstein, et al.
The Journal of Physical Chemistry. B
|
April 9, 2009
Ab initio kinetic simulation of gas-phase experiments: tautomerization of cytosine and guanine
Dmytro Kosenkov, Yana Kholod, Leonid Gorb, et al.
The Journal of Physical Chemistry. A
|
July 28, 2009
Effect of a pH change on the conformational stability of the modified nucleotide queuosine monophosphate
Dmytro Kosenkov, Yana A Kholod, Leonid Gorb, et al.
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of 2