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Shubin Liu

Showing results (21-30 of 233) with videos related to

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Journal of Chemical Theory and Computation|July 12, 2023
Efficient Computation of the Electrostatic Component of Solvation Free Energy via a Two-Point Padé ApproximationHao Hu, Weitao Yang, Shubin Liu
Pharmaceuticals (Basel, Switzerland)|August 26, 2022
A Density Functional Theory and Information-Theoretic Approach Study of Interaction Energy and Polarizability for Base Pairs and PeptidesDongbo Zhao, Shubin Liu, Dahua Chen
Physical Chemistry Chemical Physics : PCCP|December 17, 2016
Electronic forces as descriptors of nucleophilic and electrophilic regioselectivity and stereoselectivityShubin Liu, Chunying Rong, Tian Lu
The Journal of Physical Chemistry. A|March 30, 2007
Structural and dynamic properties of (SiO2)6 silica nanostructures: a quantum molecular dynamics studyAiguo Zhong, Chunying Rong, Shubin Liu
The Journal of Chemical Physics|January 21, 2014
Dissecting molecular descriptors into atomic contributions in density functional reactivity theoryChunying Rong, Tian Lu, Shubin Liu
The Journal of Physical Chemistry. A|May 3, 2014
Information conservation principle determines electrophilicity, nucleophilicity, and regioselectivityShubin Liu, Chuying Rong, Tian Lu
The Journal of Physical Chemistry. A|April 10, 2010
Steric, quantum, and electrostatic effects on S(N)2 reaction barriers in gas phaseShubin Liu, Hao Hu, Lee G Pedersen
The Journal of Physical Chemistry. A|October 22, 2013
Tuning amidoximate to enhance uranyl binding: a density functional theory studyCarter W Abney, Shubin Liu, Wenbin Lin
The Journal of Chemical Physics|December 3, 2008
Exploring the origin of the internal rotational barrier for molecules with one rotatable dihedral angleShubin Liu, Niranjan Govind, Lee G Pedersen
The Journal of Physical Chemistry Letters|August 20, 2015
Charge Separation Propensity of the Coenzyme B12-Tyrosine Complex in Adenosylcobalamin-Dependent Methylmalonyl-CoA Mutase EnzymeNeeraj Kumar, Shubin Liu, Pawel M Kozlowski
Pageof 24

Showing results (21-30 of 233) with videos related to

Sort By:
Pageof 24
Journal of Chemical Theory and Computation|July 12, 2023
Efficient Computation of the Electrostatic Component of Solvation Free Energy via a Two-Point Padé ApproximationHao Hu, Weitao Yang, Shubin Liu
Pharmaceuticals (Basel, Switzerland)|August 26, 2022
A Density Functional Theory and Information-Theoretic Approach Study of Interaction Energy and Polarizability for Base Pairs and PeptidesDongbo Zhao, Shubin Liu, Dahua Chen
Physical Chemistry Chemical Physics : PCCP|December 17, 2016
Electronic forces as descriptors of nucleophilic and electrophilic regioselectivity and stereoselectivityShubin Liu, Chunying Rong, Tian Lu
The Journal of Physical Chemistry. A|March 30, 2007
Structural and dynamic properties of (SiO2)6 silica nanostructures: a quantum molecular dynamics studyAiguo Zhong, Chunying Rong, Shubin Liu
The Journal of Chemical Physics|January 21, 2014
Dissecting molecular descriptors into atomic contributions in density functional reactivity theoryChunying Rong, Tian Lu, Shubin Liu
The Journal of Physical Chemistry. A|May 3, 2014
Information conservation principle determines electrophilicity, nucleophilicity, and regioselectivityShubin Liu, Chuying Rong, Tian Lu
The Journal of Physical Chemistry. A|April 10, 2010
Steric, quantum, and electrostatic effects on S(N)2 reaction barriers in gas phaseShubin Liu, Hao Hu, Lee G Pedersen
The Journal of Physical Chemistry. A|October 22, 2013
Tuning amidoximate to enhance uranyl binding: a density functional theory studyCarter W Abney, Shubin Liu, Wenbin Lin
The Journal of Chemical Physics|December 3, 2008
Exploring the origin of the internal rotational barrier for molecules with one rotatable dihedral angleShubin Liu, Niranjan Govind, Lee G Pedersen
The Journal of Physical Chemistry Letters|August 20, 2015
Charge Separation Propensity of the Coenzyme B12-Tyrosine Complex in Adenosylcobalamin-Dependent Methylmalonyl-CoA Mutase EnzymeNeeraj Kumar, Shubin Liu, Pawel M Kozlowski
Pageof 24