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Ivan Vyalov

Showing results (1-10 of 6) with videos related to

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The Journal of Chemical Physics|March 24, 2018
Including diverging electrostatic potential in 3D-RISM theory: The charged wall caseIvan Vyalov, Walter Rocchia
Journal of Computational Chemistry|March 25, 2014
Extraction of site-site bridge functions and effective pair potentials from simulations of polar molecular liquidsGennady N Chuev, Ivan Vyalov, Nikolaj Georgi
European Journal of Medicinal Chemistry|September 7, 2014
Implicit solvent methods for free energy estimationSergio Decherchi, Matteo Masetti, Ivan Vyalov, et al.
The Journal of Physical Chemistry. B|September 11, 2013
On the characterization of inhomogeneity of the density distribution in supercritical fluids via molecular dynamics simulation and data mining analysisAbdenacer Idrissi, Ivan Vyalov, Nikolaj Georgi, et al.
Physical Chemistry Chemical Physics : PCCP|August 12, 2011
Assessment of the potential models of acetone/CO2 and ethanol/CO2 mixtures by computer simulation and thermodynamic integration in liquid and supercritical statesAbdenacer Idrissi, Ivan Vyalov, Mikhail Kiselev, et al.
Physical Chemistry Chemical Physics : PCCP|March 27, 2012
Detailed insight into the hydrogen bonding interactions in acetone-methanol mixtures. A molecular dynamics simulation and Voronoi polyhedra analysis studyAbdenacer Idrissi, Kamil Polok, W Gadomski, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|March 24, 2018
Including diverging electrostatic potential in 3D-RISM theory: The charged wall caseIvan Vyalov, Walter Rocchia
Journal of Computational Chemistry|March 25, 2014
Extraction of site-site bridge functions and effective pair potentials from simulations of polar molecular liquidsGennady N Chuev, Ivan Vyalov, Nikolaj Georgi
European Journal of Medicinal Chemistry|September 7, 2014
Implicit solvent methods for free energy estimationSergio Decherchi, Matteo Masetti, Ivan Vyalov, et al.
The Journal of Physical Chemistry. B|September 11, 2013
On the characterization of inhomogeneity of the density distribution in supercritical fluids via molecular dynamics simulation and data mining analysisAbdenacer Idrissi, Ivan Vyalov, Nikolaj Georgi, et al.
Physical Chemistry Chemical Physics : PCCP|August 12, 2011
Assessment of the potential models of acetone/CO2 and ethanol/CO2 mixtures by computer simulation and thermodynamic integration in liquid and supercritical statesAbdenacer Idrissi, Ivan Vyalov, Mikhail Kiselev, et al.
Physical Chemistry Chemical Physics : PCCP|March 27, 2012
Detailed insight into the hydrogen bonding interactions in acetone-methanol mixtures. A molecular dynamics simulation and Voronoi polyhedra analysis studyAbdenacer Idrissi, Kamil Polok, W Gadomski, et al.
Pageof 1