PUBLICATIONS

2019
2018
2017
2016
2015
2014
2013
2012
2011
2010
2000-2009
1991-1999
163. Gu, Q.; Tang, Z.; Su, P.; Wu, W.; Yang, Z.; Trindle, C. O.; Knee, J. L., Physical Origins of Ionization Potential Shifts in Mixed Carboxylic Acids and Water Dimers, J. Chem. Phys., 2016, 145, 051101. (Cover paper).
162. Gong, X.; Chen, Z.; Wu, W., The Application of Cholesky Decomposition in Valence Bond Calculation, J. Comput. Chem., 2016, 37, 2157-2162.
161. Chang, X.; Zhang, Y.; Weng, X.; Su, P.; Wu, W.; Mo, Y., Red-shifting versus Blue-shifting Hydrogen Bonds: A Perspective from Ab Initio Valence Bond Theory, J. Phys. Chem. A, 2016, 120, 2749-2756.
160. Zhang, H.; Wu, W.; Ahmed, B.; Mezei, G.; Mo, Y., Adjacent Lone Pair (ALP) Effect: A computational Approach for Its Origins, Chem. Euro. J., 2016, 22, 1-8.
159. Mo, Y.; Zhang, H.; Su, P.; Jarowski, P. D.; Wu, W., Intramolecular Multi-Bond Strain: The Unrecognized Side of the Dichotomy of Conjugated Systems, Chem. Sci., 2016,7, 5872-5878.
158. Su, P.; Chen, H.; Wu, W., An Energy Decomposition Analysis Study for Intramolecular Non-covalent Interaction in Solvated Environment, Sci. China, Chem., 2016, 59, 1025-1032.
157. Zhang, H.; Jiang, X.; Wu, W.; Mo, Y., Electron Conjugation versus π-π Repulsion in Substituted Benzenes: Why the Carbon-Nitrogen Bond in Nitrobenzene Is Longer than in Aniline? Phys. Chem. Chem. Phys, 2016,18, 11821-11828.
156. Huang, J.; Li, C.; Wang, B.; Sharon, D.; Wu, W.; Shaik, S., Selective Chlorination of Substrates by Halogenase SyrB2 is Controlled by the Protein According to a Combined QM/MM and MD Study, ACS Catalysis, 2016, 6, 2694-2704.