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The Journal of Physical Chemistry Letters|October 9, 2025
Chemical Bonding from the Perspective of In Situ Orbital CorrelationXuhui Lin, Yirong MoThe Journal of Physical Chemistry. A|October 20, 2017
The Origin of the Non-Additivity in Resonance-Assisted Hydrogen Bond SystemsXuhui Lin, Huaiyu Zhang, Xiaoyu Jiang, et al.Chemical Science|May 31, 2024
Multiconfigurational actinide nitrides assisted by double Möbius aromaticityXuhui Lin, Xiaoli Lu, Shenghui Tang, et al.Journal of the American Chemical Society|February 12, 2026
Craig Excited-State Aromaticity in Metallabenzenes: How, When, and Why?Xuhui Lin, Mingyang Wei, Yirong MoACS Omega|December 6, 2021
Computational Study of CO2 Reduction Catalyzed by Iron(I) Complex at Different Spin States: Cooperativity of Hydrogen Bonding and Auxiliary Group EffectYazhou Li, Xuhui Lin, Fang Ma, et al.Accounts of Chemical Research|June 12, 2026
"In Situ" Orbital CorrelationsXuhui Lin, Huaiyu Zhang, Changwei Wang, et al.The Journal of Physical Chemistry. A|June 27, 2009
The B-H...H-P dihydrogen bonding in ion pair complexes [(CF(3))(3)BH(-)][HPH(3-n)(Me)(n)(+)] (n = 0-3) and its implication in H(2) elimination and activation reactionsShulin Gao, Wei Wu, Yirong MoChemistry (Weinheim an Der Bergstrasse, Germany)|January 31, 2020
Two Push-Pull Channels Enhance the Dinitrogen Activation by Borylene CompoundsHuaiyu Zhang, Rui Yuan, Wei Wu, et al.Angewandte Chemie (International Ed. in English)|August 8, 2018
The Transition-Metal-Like Behavior of B2 (NHC)2 in the Activation of CO: HOMO-LUMO Swap Without PhotoinductionHuaiyu Zhang, Zexing Cao, Wei Wu, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|December 11, 2012
How the generalized anomeric effect influences the conformational preferenceChangwei Wang, Zhenhua Chen, Wei Wu, et al.Pageof 978