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The Journal of Physical Chemistry. B
|
September 4, 2009
Solvent fluctuations drive the hole transfer in DNA: a mixed quantum-classical study
Tomás Kubar, Ulrich Kleinekathöfer, Marcus Elstner
The Journal of Physical Chemistry. A
|
November 22, 2012
Improved electronic properties from third-order SCC-DFTB with cost efficient post-SCF extensions
Steve Kaminski, Michael Gaus, Marcus Elstner
The Journal of Physical Chemistry. A
|
September 8, 2011
On the structure and stretching of microhydrated DNA
Mario Wolter, Marcus Elstner, Tomáš Kubař
Proteins
|
January 31, 2003
Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine "dipeptides" (Ace-Ala-Nme and Ace-Gly-Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution
Hao Hu, Marcus Elstner, Jan Hermans
The Journal of Physical Chemistry. B
|
April 30, 2011
Application of the SCC-DFTB method to neutral and protonated water clusters and bulk water
Puja Goyal, Marcus Elstner, Qiang Cui
The Journal of Chemical Physics
|
August 24, 2018
Coupled-perturbed DFTB-QM/MM metadynamics: Application to proton-coupled electron transfer
Natacha Gillet, Marcus Elstner, Tomáš Kubař
Plos One
|
March 29, 2013
Computational study of synthetic agonist ligands of ionotropic glutamate receptors
Tino Wolter, Thomas Steinbrecher, Marcus Elstner
The Journal of Physical Chemistry. A
|
October 3, 2024
Effect of Halogen Substituents on Charge Transport Properties of n-type Organic Semiconductors: A Theoretical Study
Sara Roosta, Marcus Elstner, Weiwei Xie
Journal of Chemical Theory and Computation
|
December 4, 2012
DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB)
Michael Gaus, Qiang Cui, Marcus Elstner
The Journal of Chemical Physics
|
October 5, 2013
Charge transport in desolvated DNA
Mario Wolter, Marcus Elstner, Tomáš Kubař
Page
of 16
Search research articles
Search
Showing results (11-20 of 158) with videos related to
Sort By:
Page
of 16
The Journal of Physical Chemistry. B
|
September 4, 2009
Solvent fluctuations drive the hole transfer in DNA: a mixed quantum-classical study
Tomás Kubar, Ulrich Kleinekathöfer, Marcus Elstner
The Journal of Physical Chemistry. A
|
November 22, 2012
Improved electronic properties from third-order SCC-DFTB with cost efficient post-SCF extensions
Steve Kaminski, Michael Gaus, Marcus Elstner
The Journal of Physical Chemistry. A
|
September 8, 2011
On the structure and stretching of microhydrated DNA
Mario Wolter, Marcus Elstner, Tomáš Kubař
Proteins
|
January 31, 2003
Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine "dipeptides" (Ace-Ala-Nme and Ace-Gly-Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution
Hao Hu, Marcus Elstner, Jan Hermans
The Journal of Physical Chemistry. B
|
April 30, 2011
Application of the SCC-DFTB method to neutral and protonated water clusters and bulk water
Puja Goyal, Marcus Elstner, Qiang Cui
The Journal of Chemical Physics
|
August 24, 2018
Coupled-perturbed DFTB-QM/MM metadynamics: Application to proton-coupled electron transfer
Natacha Gillet, Marcus Elstner, Tomáš Kubař
Plos One
|
March 29, 2013
Computational study of synthetic agonist ligands of ionotropic glutamate receptors
Tino Wolter, Thomas Steinbrecher, Marcus Elstner
The Journal of Physical Chemistry. A
|
October 3, 2024
Effect of Halogen Substituents on Charge Transport Properties of n-type Organic Semiconductors: A Theoretical Study
Sara Roosta, Marcus Elstner, Weiwei Xie
Journal of Chemical Theory and Computation
|
December 4, 2012
DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB)
Michael Gaus, Qiang Cui, Marcus Elstner
The Journal of Chemical Physics
|
October 5, 2013
Charge transport in desolvated DNA
Mario Wolter, Marcus Elstner, Tomáš Kubař
Page
of 16