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Science China. Chemistry
|
August 27, 2013
Computation of kinetic isotope effects for enzymatic reactions
Jiali Gao
Current Opinion in Structural Biology
|
May 3, 2003
Catalysis by enzyme conformational change as illustrated by orotidine 5'-monophosphate decarboxylase
Jiali Gao
Journal of Chemical Theory and Computation
|
December 4, 2015
Solvatochromic Shifts of the n → π* Transition of Acetone from Steam Vapor to Ambient Aqueous Solution: A Combined Configuration Interaction QM/MM Simulation Study Incorporating Solvent Polarization
Lin, Jiali Gao
Journal of Chemical Theory and Computation
|
November 8, 2022
Fundamental Variable and Density Representation in Multistate DFT for Excited States
Yangyi Lu, Jiali Gao
The Journal of Physical Chemistry. A
|
October 3, 2008
On the construction of diabatic and adiabatic potential energy surfaces based on ab initio valence bond theory
Lingchun Song, Jiali Gao
Accounts of Chemical Research
|
February 21, 2007
Theoretical analysis of the rotational barrier of ethane
Yirong Mo, Jiali Gao
The Journal of Physical Chemistry. B
|
February 24, 2006
Polarization and charge-transfer effects in aqueous solution via ab initio QM/MM simulations
Yirong Mo, Jiali Gao
Molecules (Basel, Switzerland)
|
December 24, 2021
Deuterium Isotope Effects on Acid-Base Equilibrium of Organic Compounds
Meiyi Liu, Jiali Gao
The Journal of Physical Chemistry Letters
|
August 15, 2022
Multistate Density Functional Theory of Excited States
Yangyi Lu, Jiali Gao
The Journal of Physical Chemistry Letters
|
April 21, 2020
Fragment Exchange Potential for Realizing Pauli Deformation of Interfragment Interactions
Xin Chen, Jiali Gao
Page
of 26
Search research articles
Search
Showing results (1-10 of 258) with videos related to
Sort By:
Page
of 26
Science China. Chemistry
|
August 27, 2013
Computation of kinetic isotope effects for enzymatic reactions
Jiali Gao
Current Opinion in Structural Biology
|
May 3, 2003
Catalysis by enzyme conformational change as illustrated by orotidine 5'-monophosphate decarboxylase
Jiali Gao
Journal of Chemical Theory and Computation
|
December 4, 2015
Solvatochromic Shifts of the n → π* Transition of Acetone from Steam Vapor to Ambient Aqueous Solution: A Combined Configuration Interaction QM/MM Simulation Study Incorporating Solvent Polarization
Lin, Jiali Gao
Journal of Chemical Theory and Computation
|
November 8, 2022
Fundamental Variable and Density Representation in Multistate DFT for Excited States
Yangyi Lu, Jiali Gao
The Journal of Physical Chemistry. A
|
October 3, 2008
On the construction of diabatic and adiabatic potential energy surfaces based on ab initio valence bond theory
Lingchun Song, Jiali Gao
Accounts of Chemical Research
|
February 21, 2007
Theoretical analysis of the rotational barrier of ethane
Yirong Mo, Jiali Gao
The Journal of Physical Chemistry. B
|
February 24, 2006
Polarization and charge-transfer effects in aqueous solution via ab initio QM/MM simulations
Yirong Mo, Jiali Gao
Molecules (Basel, Switzerland)
|
December 24, 2021
Deuterium Isotope Effects on Acid-Base Equilibrium of Organic Compounds
Meiyi Liu, Jiali Gao
The Journal of Physical Chemistry Letters
|
August 15, 2022
Multistate Density Functional Theory of Excited States
Yangyi Lu, Jiali Gao
The Journal of Physical Chemistry Letters
|
April 21, 2020
Fragment Exchange Potential for Realizing Pauli Deformation of Interfragment Interactions
Xin Chen, Jiali Gao
Page
of 26