PUBLICATIONS

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2000-1991
215. Ren, M.; Liu, X.; Zhang, L.; Lin, X.; Wu, W.; Chen, Z.,* Compact and accurate ab initio valence bond wave functions for electron transfer: the classic but challenging covalent-ionic interaction in LiF, J. Chem. Phys. 2022, 157, 084106.
214. Xu, Y.; Zhang, S.; Cao, Lindahl, E.; Friedman, R.;* Wu, W.; Su, P.,* A general Tight-binding Based Energy Decomposition Analysis Scheme for Intermolecular Interactions in Large Molecules, J. Chem. Phys. 2022, 157, 034104.
213. Zheng, P.; Gan, Z.; Zhou, C.;* Su, P.; Wu, W.,* λ-DFVB(U): A Hybrid Density Functional Valence Bond Method Based on Unpaired Electron Density, J. Chem. Phys., 2022, 156, 204103..
212. Zhang, Y.; Wu, X.; Su, P.;* Wu, W.,* Exploring the Nature of Electron-pair Bonds: An Energy Decomposition Analysis Perspective, J. Phys. Condens. Matter, 2022, 34, 294004.
211. Zheng, P.; Yang, W.; Wu, W.; Isayev, O.; Dral, P.*, Toward Chemical Accuracy in Predicting Enthalpies of Formation with General-Purpose Data-Driven Methods, J. Phys. Chem. Lett. 2022, 13, 15, 3479–3491.
210. Huang, D.; Ying, F.; Chen, S.; Zhou, C.; Su, P.*; Wu, W.*, Metal–Ligand Bonds in Rare Earth Metal–Biphenyl Complexes, Inorg. Chem. 2022, 61, 21, 8135–8143.