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Physical Chemistry Chemical Physics : PCCP|May 23, 2019
Tetrel bonding interaction: an analysis with the block-localized wavefunction (BLW) approachChangwei Wang, Yama Aman, Xiaoxi Ji, et al.
Journal of Chemical Theory and Computation|November 21, 2015
On The Nature of the Halogen BondChangwei Wang, David Danovich, Yirong Mo, et al.
Journal of the American Chemical Society|May 13, 2008
Combined quantum mechanics/molecular mechanics study on the reversible isomerization of glucose and fructose catalyzed by Pyrococcus furiosus phosphoglucose isomeraseRuibo Wu, Hujun Xie, Zexing Cao, et al.
Journal of Chemical Theory and Computation|March 3, 2017
A Unified Theory for the Blue- and Red-Shifting Phenomena in Hydrogen and Halogen BondsChangwei Wang, David Danovich, Sason Shaik, et al.
The Journal of Organic Chemistry|May 11, 2004
Hyperconjugation effect in substituted methyl boranes: an orbital deletion procedure analysisYirong Mo, Haijun Jiao, Paul von Ragué Schleyer
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 6, 2017
Halogen Bonds in Novel Polyhalogen MonoanionsChangwei Wang, David Danovich, Sason Shaik, et al.
The Journal of Physical Chemistry. A|May 29, 2009
Broad substrate specificity and catalytic mechanism of Pseudomonas stutzeri L-rhamnose isomerase: insights from QM/MM molecular dynamics simulationsRuibo Wu, Hujun Xie, Yirong Mo, et al.
Physical Chemistry Chemical Physics : PCCP|May 25, 2023
On the nature of inter-anion coinage bondsJiayao Li, Qiuyan Feng, Changwei Wang, et al.
The Journal of Chemical Physics|April 17, 2012
The generalized block-localized wavefunction method: a case study on the conformational preference and C-O rotational barrier of formic acidJian-Feng Jia, Hai-Shun Wu, Yirong Mo
Journal of Chemical Theory and Computation|March 16, 2010
Block-Localized Density Functional Theory (BLDFT), Diabatic Coupling, and Their Use in Valence Bond Theory for Representing Reactive Potential Energy SurfacesAlessandro Cembran, Lingchun Song, Yirong Mo, et al.
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