PUBLICATIONS

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1991-1999
173. Lin, X.; Zhang, H.; Jiang, X.; Wu, W.; Mo, Y., The Origin of the Non-Additivity in Resonance-Assisted Hydrogen Bond (RAHB) Systems, J. Phys. Chem. A, 2017, 121, 8535-8541.
172. Jiang, X.; Zhang, H.; Wu, W.; Mo, Y., A Critical Check for the Role of Resonance in Intramolecular Hydrogen Bonding, Chem. Euro. J., 2017, 23, 16885-16891.
171. Liu, Z.; Trindle, C. O.; Gu, Q.; Wu, W.; Su, P., Unravelling H-bonding interactions of tryptamine-water from neutral to cation, Phys. Chem. Chem. Phys., 2017, 19, 25260-25269.
170. Gu, Q.; Shen, D.; Tang, Z.; Wu, W.; Su, P.; Xia, Y.; Yang, Z.; Trindle, C., Dissection of H-bonding Interactions in Glycolic Acid-water Dimer, Phys. Chem. Chem. Phys., 2017, 19, 14238-14247.
169. Gu, J.; Wu, W.;* Danovich, D.; Hoffmann R.;* Tsuji, Y.; Shaik, S.,* Valence Bond Theory Reveals the Hidden Delocalized-Diradical Character of Polyenes, J. Am. Chem. Soc., 2017, 139, 9302–9316.
168. Karach, E.; Botvinik, A.; Truhlar, D. G.; Wu, W.; Shurk, A.,* Assessing the Performance of ab initio Classical Valence Bond Methods for Hydrogen Transfer Reactions, Comput. Theor. Chem., 2017,1116, 234-241.
167. Zhou, C.; Chen, Z.;* Wu, W., A comparative study on seniority-based MO and VB calculations of the singlet and triplet energy gaps of open-shell molecules. Comput. Theor. Chem., 2017, 1116, 86-91.
166. Zhang, H.; Wu, W.; Mo, Y.*, Study of Proton-Coupled Electron Transfer (PCET) with Four Explicit Diabatic States at the Ab Initio Level, Comput. Theor. Chem., 2017, 1116, 50-58.
165. Chen, Z.; Zhang, Y.; Gong, X., Ying, F.; Su, P.;* Wu, W., A Hamiltonian matrix correction based density functional valence bond method, J. Chem. Theor. Comput., 2017, 13, 627-634.
164. Lin, X.; Chen, Z.;* Wu, W., The Driving Force for π-bond Localization and Bond Alternation in Trisannelated Benzenes, Phys. Chem. Chem. Phys., 2017, 19, 3019-3027.