PUBLICATIONS

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2000-1991
189. Lin, X.; Wu, W.; Mo, Y.,* How Resonance Modulates Multiply Hydrogen Bonding in Self-Assembled Systems, J. Org. Chem., 2019, 84, 14805-14815.
188. Lin, X.; Wu, W.; Mo, Y.,* Agostic Interactions in Early Transition-Metal Complexes: Roles of Hyperconjugation, Dispersion, and Steric Effect, Chem. Euro, J., 2019, 25, 6591-6599.
187. Zhou, C.; Zeng, C.; Ma, B.; Ying, F.; Chen, Z.;* Wu, W.,* Novel Implementation of Seniority Number Truncated Valence Bond Method with Applications to H22 Chain, J. Chem. Phys., 2019, 151, 194107.
186. Ren, M.; Ma, B.; Chen, Z.;* Wu, W., Two-dimensional Analysis of the Diabatic Transition of a General Vectorial Physical Observable Based on Adiabatic-to-diabatic Transformation, J. Phys. Chem. Lett., 2019, 10, 5868-5872.
185. Tang, Z.; Jiang, Z.; Chen, H.; Su, P.;* Wu, W., Energy Decomposition Analysis Based on Broken Symmetry Unrestricted Density Functional Theory, J. Chem. Phys., 2019, 151, 244106.
184. Wang, C.; Danovich, D.; Shaik, S.; Wu, W.; Mo, Y.,* Attraction between Electrophilic Caps: A Counterintuitive Case of Non-Covalent Interactions, J. Compat. Chem., 2019, 40, 1015-1022.
183. Zhang, H.; Zhou, C.; Mo, Y.; Wu, W.,* Performance of the VBSCF Method for Pericyclic and π Bond Shift Reactions, J. Comput. Chem., 2019, 40, 1123-1129.
182. Gu, J.; Wu, W.;* Stuyver, T.;* Danovich, D.; Hoffmann, R.;* Tsuji, Y.; Shaik, S.*, Cross conjugation in polyenes and related hydrocarbons: what can be learned from valence bond theory about single-molecule conductance? J. Am. Chem. Soc. 2019, 141(14), 6030-6047.
181. Ying, F.; Zhou, C.; Zheng, P.; Luan, J.; Su, P.;* Wu, W., λ-DFVB: A valence bond based multi-configurational hybrid density functional theory with a single variable parameter, Front. Chem. , 2019, 7, 225.