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The Journal of Physical Chemistry. B
|
August 3, 2013
Charge and electric field fluctuations in aqueous NaCl electrolytes
Bernhard Sellner, Marat Valiev, Shawn M Kathmann
The Journal of Physical Chemistry. B
|
April 17, 2010
Vertical ionization potentials of nucleobases in a fully solvated DNA environment
Emilie Cauët, Marat Valiev, John H Weare
The Journal of Physical Chemistry. A
|
April 1, 2016
Deprotonated Dicarboxylic Acid Homodimers: Hydrogen Bonds and Atmospheric Implications
Gao-Lei Hou, Marat Valiev, Xue-Bin Wang
The Journal of Chemical Physics
|
February 3, 2020
Chemical bond effects in classical site density functional theory of inhomogeneous molecular liquids
Gennady N Chuev, Marina V Fedotova, Marat Valiev
Journal of Chemical Theory and Computation
|
November 25, 2015
Integral Equation Theory of Molecular Solvation Coupled with Quantum Mechanical/Molecular Mechanics Method in NWChem Package
Gennady N Chuev, Marat Valiev, Marina V Fedotova
The Journal of Physical Chemistry. A
|
February 21, 2012
Hybrid quantum mechanical and molecular mechanics study of the S(N)2 Reaction of CCl4 + OH- in aqueous solution: the potential of mean force, reaction energetics, and rate constants
Tingting Wang, Hongyun Yin, Dunyou Wang, et al.
The Journal of Physical Chemistry. A
|
May 2, 2009
Excitation energies of zinc porphyrin in aqueous solution using long-range corrected time-dependent density functional theory
Niranjan Govind, Marat Valiev, Lasse Jensen, et al.
Journal of the American Chemical Society
|
August 9, 2017
Formation of (HCOO<sup>-</sup>)(H<sub>2</sub>SO<sub>4</sub>) Anion Clusters: Violation of Gas-Phase Acidity Predictions
Gao-Lei Hou, Xue-Bin Wang, Marat Valiev
The Journal of Chemical Physics
|
August 15, 2021
Renormalized site density functional theory for models of ion hydration
Gennady N Chuev, Marina V Fedotova, Marat Valiev
The Journal of Physical Chemistry. B
|
September 10, 2015
How Anion Chaotrope Changes the Local Structure of Water: Insights from Photoelectron Spectroscopy and Theoretical Modeling of SCN(-) Water Clusters
Marat Valiev, Shihu H M Deng, Xue-Bin Wang
Page
of 5
Search research articles
Search
Showing results (11-20 of 48) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry. B
|
August 3, 2013
Charge and electric field fluctuations in aqueous NaCl electrolytes
Bernhard Sellner, Marat Valiev, Shawn M Kathmann
The Journal of Physical Chemistry. B
|
April 17, 2010
Vertical ionization potentials of nucleobases in a fully solvated DNA environment
Emilie Cauët, Marat Valiev, John H Weare
The Journal of Physical Chemistry. A
|
April 1, 2016
Deprotonated Dicarboxylic Acid Homodimers: Hydrogen Bonds and Atmospheric Implications
Gao-Lei Hou, Marat Valiev, Xue-Bin Wang
The Journal of Chemical Physics
|
February 3, 2020
Chemical bond effects in classical site density functional theory of inhomogeneous molecular liquids
Gennady N Chuev, Marina V Fedotova, Marat Valiev
Journal of Chemical Theory and Computation
|
November 25, 2015
Integral Equation Theory of Molecular Solvation Coupled with Quantum Mechanical/Molecular Mechanics Method in NWChem Package
Gennady N Chuev, Marat Valiev, Marina V Fedotova
The Journal of Physical Chemistry. A
|
February 21, 2012
Hybrid quantum mechanical and molecular mechanics study of the S(N)2 Reaction of CCl4 + OH- in aqueous solution: the potential of mean force, reaction energetics, and rate constants
Tingting Wang, Hongyun Yin, Dunyou Wang, et al.
The Journal of Physical Chemistry. A
|
May 2, 2009
Excitation energies of zinc porphyrin in aqueous solution using long-range corrected time-dependent density functional theory
Niranjan Govind, Marat Valiev, Lasse Jensen, et al.
Journal of the American Chemical Society
|
August 9, 2017
Formation of (HCOO<sup>-</sup>)(H<sub>2</sub>SO<sub>4</sub>) Anion Clusters: Violation of Gas-Phase Acidity Predictions
Gao-Lei Hou, Xue-Bin Wang, Marat Valiev
The Journal of Chemical Physics
|
August 15, 2021
Renormalized site density functional theory for models of ion hydration
Gennady N Chuev, Marina V Fedotova, Marat Valiev
The Journal of Physical Chemistry. B
|
September 10, 2015
How Anion Chaotrope Changes the Local Structure of Water: Insights from Photoelectron Spectroscopy and Theoretical Modeling of SCN(-) Water Clusters
Marat Valiev, Shihu H M Deng, Xue-Bin Wang
Page
of 5