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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 6, 2006
Novel superalkali superhalogen compounds (Li3)+(SH)- (SH=LiF2, BeF3, and BF4) with aromaticity: new electrides and alkalidesFang-Fang Wang, Zhi-Ru Li, Di Wu, et al.The Journal of Chemical Physics|July 23, 2004
An ab initio theoretical prediction: an antiaromatic ring pi-dihydrogen bond accompanied by two secondary interactions in a "wheel with a pair of pedals" shaped complex FH . . . C4H4 . . . HFDi Wu, Zhi-Ru Li, Xi-Yun Hao, et al.The Journal of Chemical Physics|October 15, 2005
Asymmetrical linear structures including three-electron hemibonds or other interactions in the (ABA)-type triatomic cations: Ne3+, (He-Ne-He)+, (Ar-Ne-Ar)+, (Ar-O-Ar)+, (He-O-He)+, and (Ar-He-Ar)+Xiao-Ying Sun, Zhi-Ru Li, Di Wu, et al.Journal of Molecular Modeling|March 27, 2013
Influence of C-terminal tail deletion on structure and stability of hyperthermophile Sulfolobus tokodaii RNase HILin Chen, Ji-Long Zhang, Qing-Chuan Zheng, et al.Journal of Molecular Modeling|March 3, 2011
Theoretical mechanistic study of the reaction of the methylidyne radical with methylacetyleneLili Zhang, Hui-Ling Liu, Guang-Hui Yang, et al.Journal of Computational Chemistry|March 3, 2007
Electronic properties of tricoordinated phosphorus in hexagonal phosphininium compounds and molecular aromaticityWei-Qi Li, Wei-Quan Tian, Ji-Kang Feng, et al.Physical Chemistry Chemical Physics : PCCP|June 10, 2010
Möbius basket molecule: structure and propertiesYin-Feng Wang, Zhuo Li, Ying Li, et al.Journal of Molecular Modeling|July 11, 2013
The effects of external electric field: creating non-zero first hyperpolarizability for centrosymmetric benzene and strongly enhancing first hyperpolarizability for non-centrosymmetric edge-modified graphene ribbon H2N-(3,3)ZGNR-NO2Yang Bai, Zhong-Jun Zhou, Jia-Jun Wang, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|November 27, 2012
Structural and dynamic basis of human cytochrome P450 7B1: a survey of substrate selectivity and major active site access channelsYing-Lu Cui, Ji-Long Zhang, Qing-Chuan Zheng, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|February 15, 2011
Exceptionally large second-order nonlinear optical response in donor-graphene nanoribbon-acceptor systemsZhong-Jun Zhou, Xiao-Ping Li, Fang Ma, et al.Pageof 17