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The Journal of Physical Chemistry. B
|
August 6, 2021
On the Accuracy of QM/MM Models: A Systematic Study of Intramolecular Proton Transfer Reactions of Amino Acids in Water
Junbo Chen, Jin Kato, Jason B Harper, et al.
The Journal of Physical Chemistry. B
|
May 6, 2026
Phosphate Solvation in Mixed Organic-Aqueous Solutions: Implications for Marble Conservation Treatments
Ria H Stephenson, Jierui Zhang, Junming Ho, et al.
The Journal of Physical Chemistry. A
|
October 19, 2010
First-principles prediction of the pK(a)s of anti-inflammatory oxicams
Junming Ho, Michelle L Coote, Marco Franco-Pérez, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 21, 2017
NHC-Catalyzed Metathesis and Phosphorylation Reactions of Disulfides: Development and Mechanistic Insights
Reece D Crocker, Mohanad A Hussein, Junming Ho, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 12, 2019
Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matching
Xiaoliang Pan, Pengfei Li, Junming Ho, et al.
The Journal of Organic Chemistry
|
August 24, 2017
Quantum Chemical Prediction of Equilibrium Acidities of Ureas, Deltamides, Squaramides, and Croconamides
Junming Ho, Vincent E Zwicker, Karen K Y Yuen, et al.
Journal of Chemical Theory and Computation
|
July 18, 2023
Molecular Geometries and Vibrational Contributions to Reaction Thermochemistry Are Surprisingly Insensitive to the Choice of Basis Sets
Minzhi Wang, Xinlan He, Mackenzie Taylor, et al.
The Journal of Organic Chemistry
|
May 15, 2020
Anion Binding Affinity: Acidity versus Conformational Effects
Isolde Sandler, Fayaz Ali Larik, Neil Mallo, et al.
The Journal of Physical Chemistry. B
|
January 20, 2012
Rigid body Brownian dynamics as a tool for studying ion channel blockers
Dan Gordon, Rong Chen, Junming Ho, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 16, 2019
Visible-Light Photoswitching by Azobenzazoles
Aaron D W Kennedy, Isolde Sandler, Joakim Andréasson, et al.
Page
of 9
Search research articles
Search
Showing results (31-40 of 83) with videos related to
Sort By:
Page
of 9
The Journal of Physical Chemistry. B
|
August 6, 2021
On the Accuracy of QM/MM Models: A Systematic Study of Intramolecular Proton Transfer Reactions of Amino Acids in Water
Junbo Chen, Jin Kato, Jason B Harper, et al.
The Journal of Physical Chemistry. B
|
May 6, 2026
Phosphate Solvation in Mixed Organic-Aqueous Solutions: Implications for Marble Conservation Treatments
Ria H Stephenson, Jierui Zhang, Junming Ho, et al.
The Journal of Physical Chemistry. A
|
October 19, 2010
First-principles prediction of the pK(a)s of anti-inflammatory oxicams
Junming Ho, Michelle L Coote, Marco Franco-Pérez, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 21, 2017
NHC-Catalyzed Metathesis and Phosphorylation Reactions of Disulfides: Development and Mechanistic Insights
Reece D Crocker, Mohanad A Hussein, Junming Ho, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 12, 2019
Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matching
Xiaoliang Pan, Pengfei Li, Junming Ho, et al.
The Journal of Organic Chemistry
|
August 24, 2017
Quantum Chemical Prediction of Equilibrium Acidities of Ureas, Deltamides, Squaramides, and Croconamides
Junming Ho, Vincent E Zwicker, Karen K Y Yuen, et al.
Journal of Chemical Theory and Computation
|
July 18, 2023
Molecular Geometries and Vibrational Contributions to Reaction Thermochemistry Are Surprisingly Insensitive to the Choice of Basis Sets
Minzhi Wang, Xinlan He, Mackenzie Taylor, et al.
The Journal of Organic Chemistry
|
May 15, 2020
Anion Binding Affinity: Acidity versus Conformational Effects
Isolde Sandler, Fayaz Ali Larik, Neil Mallo, et al.
The Journal of Physical Chemistry. B
|
January 20, 2012
Rigid body Brownian dynamics as a tool for studying ion channel blockers
Dan Gordon, Rong Chen, Junming Ho, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 16, 2019
Visible-Light Photoswitching by Azobenzazoles
Aaron D W Kennedy, Isolde Sandler, Joakim Andréasson, et al.
Page
of 9