Theoretical Investigation of the Large Nonlinear Optical Properties of (HCN) n Clusters with Li Atom
Chen, Wei, Li, Zhi-Ru, Wu, Di, Li, Rui-Yan, Sun, Chia-Chung
Published in The journal of physical chemistry. B (13.01.2005)
Published in The journal of physical chemistry. B (13.01.2005)
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Journal Article
Push-pull electron effects of the complexant in a Li atom doped molecule with electride character: a new strategy to enhance the first hyperpolarizability
Liu, Zhen-Bo, Zhou, Zhong-Jun, Li, Ying, Li, Zhi-Ru, Wang, Rong, Li, Qing-Zhong, Li, Yang, Jia, Feng-Yan, Wang, Yin-Feng, Li, Zong-Jun, Cheng, Jian-Bo, Sun, Chia-Chung
Published in Physical chemistry chemical physics : PCCP (01.01.2010)
Published in Physical chemistry chemical physics : PCCP (01.01.2010)
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Journal Article
Quantum Mechanical Design and Structures of Hexanuclear Sandwich Complex and Its Multidecker Sandwich Clusters (Li6) n ([18]Annulene) n+1 (n = 1–3)
Wang, Shu-Jian, Li, Ying, Wu, Di, Wang, Yin-Feng, Li, Zhi-Ru
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.09.2012)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13.09.2012)
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Journal Article
Effects of the Cage Unit Size and Number of Cage Units As Well As Bridge Unit on the Second Order Nonlinear Optical Response in Multicage Electride Molecules
Liu, Zhen-Bo, Li, Yan-Chun, Wang, Jia-Jun, Bai, Yang, Wu, Di, Li, Zhi-Ru
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.08.2013)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.08.2013)
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Journal Article
Hyperhalogen properties of early-transition-metal borates
Liu, Jia-Yuan, Ma, Hai-Di, Sun, Yan-bo, Li, Ying, Sun, Wei-Ming, Wu, Di, Li, Zhi-Ru
Published in RSC advances (2017)
Published in RSC advances (2017)
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Journal Article
Nonlinear optical response of endohedral all-metal electride cages 2e−Mg2+(M@E12)2−Ca2+ (M = Ni, Pd, and Pt; E = Ge, Sn, and Pb)
Hui-Min, He, Luis, Josep M, Wei-Hong, Chen, Yu, Dan, Li, Ying, Wu, Di, Wei-Ming, Sun, Zhi-Ru Li
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (01.01.2019)
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (01.01.2019)
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Journal Article
How Does a Double-Cage Single Molecule Confine an Excess Electron? Unusual Intercage Excess Electron Transfer Transition
Wang, Yin-Feng, Li, Zhi-Ru, Wu, Di, Li, Ying, Sun, Chia-Chung, Gu, Feng Long
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.11.2010)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.11.2010)
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Journal Article
Theoretical study on alkali-metal doped N3H3 complexes: an in-depth understanding of the origin of electride and alkalide and their large nonlinear optical properties
Liang, Wan-Ming, Zhao, Zeng-Xia, Wu, Di, Sun, Wei-Ming, Li, Ying, Li, Zhi-Ru
Published in Journal of molecular modeling (01.12.2015)
Published in Journal of molecular modeling (01.12.2015)
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Journal Article
What is the shape effect on the (hyper)polarizabilities? A comparison study on the Möbius, normal cyclacene, and linear nitrogen-substituted strip polyacenes
Xu, Hong-Liang, Li, Zhi-Ru, Wang, Fang-Fang, Wu, Di, Harigaya, Kikuo, Gu, Feng Long
Published in Chemical physics letters (20.03.2008)
Published in Chemical physics letters (20.03.2008)
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Journal Article
Substituted graphene nano-flakes: Defective structure and large nonlinear optical property
Ma, Fang, Zhou, Zhong-Jun, Liu, Ying-Tao, Zhang, Yu-Zhou, Miao, Ti-Fang, Li, Zhi-Ru
Published in Chemical physics letters (10.03.2011)
Published in Chemical physics letters (10.03.2011)
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Journal Article
RgBF2(+) complexes (Rg = Ar, Kr, and Xe): the cations with large stabilities
Lv, Zhi, Chen, Guang-Hui, Li, Dan, Wu, Di, Huang, Xiao-Chun, Li, Zhi-Ru, Liu, Wen-Guang
Published in The Journal of chemical physics (21.04.2011)
Published in The Journal of chemical physics (21.04.2011)
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Journal Article
Evolution of the structures and stabilities of boron-doped lithium cluster cations: ab initio and DFT studies
YING LI, LIU, Yong-Jun, DI WU, LI, Zhi-Ru
Published in Physical chemistry chemical physics : PCCP (01.01.2009)
Published in Physical chemistry chemical physics : PCCP (01.01.2009)
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Journal Article
Dipole-bound states of the alkali–superhalogen anions: LiBeX 3 - (X = F, Cl, Br)
Tong, Jing, Li, Ying, Wu, Di, Cui, Song-Hua, Li, Zhi-Ru, Huang, Xu-Ri
Published in Chemical physics letters (20.08.2010)
Published in Chemical physics letters (20.08.2010)
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Journal Article
The inter-ring σ/(π/π) covalent interactions of cyclodimes of benzenes
WANG, Yin-Feng, LI, Zhi-Ru, WANG, Fang-Fang, SUN, Chia-Chung
Published in Physical chemistry chemical physics : PCCP (21.01.2009)
Published in Physical chemistry chemical physics : PCCP (21.01.2009)
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