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The Journal of Chemical Physics
|
March 24, 2018
Including diverging electrostatic potential in 3D-RISM theory: The charged wall case
Ivan 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 liquids
Gennady N Chuev, Ivan Vyalov, Nikolaj Georgi
European Journal of Medicinal Chemistry
|
September 7, 2014
Implicit solvent methods for free energy estimation
Sergio 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 analysis
Abdenacer 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 states
Abdenacer 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 study
Abdenacer Idrissi, Kamil Polok, W Gadomski, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
March 24, 2018
Including diverging electrostatic potential in 3D-RISM theory: The charged wall case
Ivan 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 liquids
Gennady N Chuev, Ivan Vyalov, Nikolaj Georgi
European Journal of Medicinal Chemistry
|
September 7, 2014
Implicit solvent methods for free energy estimation
Sergio 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 analysis
Abdenacer 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 states
Abdenacer 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 study
Abdenacer Idrissi, Kamil Polok, W Gadomski, et al.
Page
of 1