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Molecules (Basel, Switzerland)
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October 14, 2022
Understanding the Liquid States of Cyclic Hydrocarbons Containing N, O, and S Atoms via the 3D-RISM-KH Molecular Solvation Theory
Dipankar Roy, Andriy Kovalenko
Journal of Chemical Theory and Computation
|
November 27, 2015
Spatial Decomposition Analysis of the Thermodynamics of Cyclodextrin Complexation
Takeshi Yamazaki, Andriy Kovalenko
International Journal of Molecular Sciences
|
June 2, 2021
Biomolecular Simulations with the Three-Dimensional Reference Interaction Site Model with the Kovalenko-Hirata Closure Molecular Solvation Theory
Dipankar Roy, Andriy Kovalenko
Journal of Molecular Modeling
|
January 12, 2022
Response to Comment on "Density Functional Theory and 3D-RISM-KH molecular theory of solvation studies of CO<sub>2</sub> reduction on Cu-, Cu<sub>2</sub>O-, Fe-, and F<sub>e</sub>3O<sub>4</sub>-based nanocatalysts"
Andriy Kovalenko, Vladimir Neburchilov
The Journal of Chemical Physics
|
August 31, 2004
Molecular description of the collapse of hydrophobic polymer chains in water
Lucian Livadaru, Andriy Kovalenko
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
April 3, 2012
Interpretation of atomic motion in flexible molecules: accelerating molecular dynamics simulations
Igor Omelyan, Andriy Kovalenko
Nano Letters
|
January 13, 2006
Fundamental mechanism of translocation across liquidlike membranes: toward control over nanoparticle behavior
Lucian Livadaru, Andriy Kovalenko
Physical Chemistry Chemical Physics : PCCP
|
October 3, 2017
Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamics
Andriy Kovalenko, Sergey Gusarov
The Journal of Chemical Physics
|
January 7, 2014
Multiple time step molecular dynamics in the optimized isokinetic ensemble steered with the molecular theory of solvation: accelerating with advanced extrapolation of effective solvation forces
Igor Omelyan, Andriy Kovalenko
Journal of Colloid and Interface Science
|
September 19, 2006
The role of capillary and surface forces in the crossover behavior of solid nanoparticles at liquid interfaces
Lucian Livadaru, Andriy Kovalenko
Page
of 10
Search research articles
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Showing results (1-10 of 91) with videos related to
Sort By:
Page
of 10
Molecules (Basel, Switzerland)
|
October 14, 2022
Understanding the Liquid States of Cyclic Hydrocarbons Containing N, O, and S Atoms via the 3D-RISM-KH Molecular Solvation Theory
Dipankar Roy, Andriy Kovalenko
Journal of Chemical Theory and Computation
|
November 27, 2015
Spatial Decomposition Analysis of the Thermodynamics of Cyclodextrin Complexation
Takeshi Yamazaki, Andriy Kovalenko
International Journal of Molecular Sciences
|
June 2, 2021
Biomolecular Simulations with the Three-Dimensional Reference Interaction Site Model with the Kovalenko-Hirata Closure Molecular Solvation Theory
Dipankar Roy, Andriy Kovalenko
Journal of Molecular Modeling
|
January 12, 2022
Response to Comment on "Density Functional Theory and 3D-RISM-KH molecular theory of solvation studies of CO<sub>2</sub> reduction on Cu-, Cu<sub>2</sub>O-, Fe-, and F<sub>e</sub>3O<sub>4</sub>-based nanocatalysts"
Andriy Kovalenko, Vladimir Neburchilov
The Journal of Chemical Physics
|
August 31, 2004
Molecular description of the collapse of hydrophobic polymer chains in water
Lucian Livadaru, Andriy Kovalenko
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
April 3, 2012
Interpretation of atomic motion in flexible molecules: accelerating molecular dynamics simulations
Igor Omelyan, Andriy Kovalenko
Nano Letters
|
January 13, 2006
Fundamental mechanism of translocation across liquidlike membranes: toward control over nanoparticle behavior
Lucian Livadaru, Andriy Kovalenko
Physical Chemistry Chemical Physics : PCCP
|
October 3, 2017
Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamics
Andriy Kovalenko, Sergey Gusarov
The Journal of Chemical Physics
|
January 7, 2014
Multiple time step molecular dynamics in the optimized isokinetic ensemble steered with the molecular theory of solvation: accelerating with advanced extrapolation of effective solvation forces
Igor Omelyan, Andriy Kovalenko
Journal of Colloid and Interface Science
|
September 19, 2006
The role of capillary and surface forces in the crossover behavior of solid nanoparticles at liquid interfaces
Lucian Livadaru, Andriy Kovalenko
Page
of 10