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Physical Chemistry Chemical Physics : PCCP|December 9, 2021
On the nature of bonding in a new boronyl species Zn2(BO)2: a linear four-center two-electron σ bondDa-Zhi Li, Li-Juan Zhang, Ling PeiPhysical Chemistry Chemical Physics : PCCP|September 3, 2022
Theoretical study on exohedral complexes C6H6TMB40 (TM = Sc-Ni)Ling Pei, Li-Juan Zhang, Da-Zhi LiJournal of Molecular Modeling|July 30, 2019
Theoretical insights into the hydrogen bonding interaction in the complexation of epinephrine with uracilLing Pei, Da-Zhi Li, Li-Juan ZhangPhysical Chemistry Chemical Physics : PCCP|January 7, 2017
Pentagonal five-center four-electron π bond in ternary B3N2H5 cluster: an extension of the concept of three-center four-electron ω bondDa-Zhi Li, Lin-Yan Feng, Ling Pei, et al.Physical Chemistry Chemical Physics : PCCP|June 11, 2015
Ternary B2X2H2 (X = O and S) rhombic clusters and their potential use as inorganic ligands in sandwich-type (B2X2H2)2Ni complexesDa-Zhi Li, Li-Juan Zhang, Ting Ou, et al.The Journal of Physical Chemistry. A|February 6, 2018
Planar Tricyclic B8O8 and B8O8- Clusters: Boron Oxide Analogues of s-Indacene C12H8Da-Zhi Li, Lin-Yan Feng, Li-Juan Zhang, et al.Inorganic Chemistry|August 30, 2023
Structural Evolution and Electronic Properties of V2Si-/0 (n = 7-14) Clusters: Anion Photoelectron Spectroscopy and Theoretical CalculationsLi-Juan Zhang, Bin Yang, Da-Zhi Li, et al.Journal of Molecular Modeling|October 9, 2025
Molecular simulation of B-N systems: insights into the interactions and properties of borospherene-pyridine hybridsLing Pei, Li-Juan Zhang, Hai-Bo YaoPhysical Chemistry Chemical Physics : PCCP|July 19, 2016
Planar B3S2H3(-) and B3S2H3 clusters with a five-membered B3S2 ring: boron-sulfur hydride analogues of cyclopentadieneDa-Zhi Li, Rui Li, Li-Juan Zhang, et al.Physical Chemistry Chemical Physics : PCCP|October 8, 2020
Appearance of V-encapsulated tetragonal prism motifs in VSi10- and VSi11- clustersLi-Juan Zhang, Bin Yang, Da-Zhi Li, et al.Pageof 66