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Journal of Chemical Theory and Computation
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November 24, 2015
Overcoming the Barrier on Time Step Size in Multiscale Molecular Dynamics Simulation of Molecular Liquids
Igor P Omelyan, Andriy Kovalenko
The Journal of Chemical Physics
|
December 3, 2008
Molecular theory of hydrodynamic boundary conditions in nanofluidics
Alexander E Kobryn, Andriy Kovalenko
The Journal of Chemical Physics
|
September 29, 2011
Multiple time scale molecular dynamics for fluids with orientational degrees of freedom. I. Microcanonical ensemble
Igor P Omelyan, Andriy Kovalenko
The Journal of Physical Chemistry. A
|
May 5, 2006
Self-consistent combination of the three-dimensional RISM theory of molecular solvation with analytical gradients and the Amsterdam density functional package
Sergey Gusarov, Tom Ziegler, Andriy Kovalenko
The Journal of Physical Chemistry. B
|
April 7, 2015
Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction
WenJuan Huang, Nikolay Blinov, Andriy Kovalenko
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2006
Criticality of a liquid-vapor interface from an inhomogeneous integral equation theory
Igor Omelyan, Fumio Hirata, Andriy Kovalenko
The Journal of Physical Chemistry. B
|
September 8, 2017
Predicting Accurate Solvation Free Energy in n-Octanol Using 3D-RISM-KH Molecular Theory of Solvation: Making Right Choices
Dipankar Roy, Nikolay Blinov, Andriy Kovalenko
Biophysical Journal
|
October 24, 2006
Microtubule stability studied by three-dimensional molecular theory of solvation
Piotr Drabik, Sergey Gusarov, Andriy Kovalenko
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 18, 2009
Structural water drives self-assembly of organic rosette nanotubes and holds host atoms in the channel
Takeshi Yamazaki, Hicham Fenniri, Andriy Kovalenko
The Journal of Physical Chemistry. B
|
July 21, 2006
Partial molar volume of proteins studied by the three-dimensional reference interaction site model theory
Takashi Imai, Andriy Kovalenko, Fumio Hirata
Page
of 10
Search research articles
Search
Showing results (21-30 of 91) with videos related to
Sort By:
Page
of 10
Journal of Chemical Theory and Computation
|
November 24, 2015
Overcoming the Barrier on Time Step Size in Multiscale Molecular Dynamics Simulation of Molecular Liquids
Igor P Omelyan, Andriy Kovalenko
The Journal of Chemical Physics
|
December 3, 2008
Molecular theory of hydrodynamic boundary conditions in nanofluidics
Alexander E Kobryn, Andriy Kovalenko
The Journal of Chemical Physics
|
September 29, 2011
Multiple time scale molecular dynamics for fluids with orientational degrees of freedom. I. Microcanonical ensemble
Igor P Omelyan, Andriy Kovalenko
The Journal of Physical Chemistry. A
|
May 5, 2006
Self-consistent combination of the three-dimensional RISM theory of molecular solvation with analytical gradients and the Amsterdam density functional package
Sergey Gusarov, Tom Ziegler, Andriy Kovalenko
The Journal of Physical Chemistry. B
|
April 7, 2015
Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction
WenJuan Huang, Nikolay Blinov, Andriy Kovalenko
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2006
Criticality of a liquid-vapor interface from an inhomogeneous integral equation theory
Igor Omelyan, Fumio Hirata, Andriy Kovalenko
The Journal of Physical Chemistry. B
|
September 8, 2017
Predicting Accurate Solvation Free Energy in n-Octanol Using 3D-RISM-KH Molecular Theory of Solvation: Making Right Choices
Dipankar Roy, Nikolay Blinov, Andriy Kovalenko
Biophysical Journal
|
October 24, 2006
Microtubule stability studied by three-dimensional molecular theory of solvation
Piotr Drabik, Sergey Gusarov, Andriy Kovalenko
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 18, 2009
Structural water drives self-assembly of organic rosette nanotubes and holds host atoms in the channel
Takeshi Yamazaki, Hicham Fenniri, Andriy Kovalenko
The Journal of Physical Chemistry. B
|
July 21, 2006
Partial molar volume of proteins studied by the three-dimensional reference interaction site model theory
Takashi Imai, Andriy Kovalenko, Fumio Hirata
Page
of 10