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[期刊论文] 作者：CHEN Yong Li Jun-Qian,
来源：结构化学 年份：2008
The adsorption of Fe(CO)4 on various types of boron nitride nanotubes (BNNTs) are investigated by employing density functional theory. Our results indicate that...
[期刊论文] 作者：LIU San-Bing LI Jun-Qian,
来源：结构化学 年份：2009
Density functional theory (DFT) calculations are performed to investigate the electronic structure and ferromagnetism of (In, Cr)2O3. The densities of states su...
[期刊论文] 作者：OU Ming-Rui LI Jun-Qian,
来源：结构化学 年份：2008
The quantitative structure-activity relationship (QSAR) of 14 phenoxybenzoic acid derivatives was studied by ab initio method at the HF/6-31G level using Guassi...
Electronic Structures of O2 Molecules Chemisorbed on a（8,0） SWNT with Different Oxygen Contents：A De
[期刊论文] 作者：YANG E,LI Jun-Qian,CHEN Yong,
来源：结构化学 年份：2010
We report a theoretical study on the electronic structures of O2 chemisorbed on a(8,0) SWNT with different oxygen contents of 6.25,12.5 and 25%,respectively.On...
Electronic Structures of O2 Molecules Chemisorbed on a (8,0) SWNT with Different Oxygen Contents:A D
[期刊论文] 作者：YANG E,LI Jun-Qian,CHEN Yong,
来源：结构化学 年份：2004
We report a theoretical study on the electronic structures of O2 chemisorbed on a (8,0) SWNT with different oxygen contents of 6.25,12.5 and 25%,respectively.On...
Electronic Structures of O2 Molecules Chemisorbed on a (8,0) SWNT with Different Oxygen Contents:A D
[期刊论文] 作者：YANG E,LI Jun-Qian,CHEN Yong,
来源：黑龙江科技信息 年份：2010
本文通过对荣华二采区10...
[期刊论文] 作者：HU Chun-Li,CHEN Yong-LI,LI Jun-Qian,
来源：黑龙江科技信息 年份：2009
本文通过对荣华二采区10...
[期刊论文] 作者：LI Yi,HU Jian-ming,LI Jun-Qian,
来源：黑龙江科技信息 年份：2005
本文通过对荣华二采区10...
[会议论文] 作者：Ou Min-Rui,Xu Xiao-Ping,Li Jun-Qian,
来源：中国化学会第五届全国结构化学学术会议 年份：2007
cholestenone 5alpha-reductase of Human,encoded in the gene SRD5A,is an important key enzyme in the biosynthetic pathway from T to DHT.It catalyzes the reduction of testosterone in position 4 and 5 usi...
Influence of PtMo Structure and Composition on the Adsorption Energies, Adsorption Site and Vibratio
[期刊论文] 作者：Jalbout,LI Jun-Qian,
来源：黑龙江科技信息 年份：2007
本文通过对荣华二采区10...
[期刊论文] 作者：XU Xiang-Lan,CHEN Zhan-Hong,CHEN Wen-Kai,LI Jun-Qian,
来源：结构化学 年份：2008
Theoretical simulation of the adsorption and dissociation of two NO molecules at the Cu2+, Cr3+ and bridge Cr3+ sites (b-Cr3+) on the normal spinel CuCr2O4 (100...
[期刊论文] 作者：CHEN Zhan-Hong,DING Kai-Ning,XU Xiang-Lan,LI Jun-Qian,
来源：黑龙江科技信息 年份：2010
本文通过对荣华二采区10...
DFT Investigation of the Adsorption/dissociation Mechanisms of Methyl Nitrite on the Pd(111) Surface
[期刊论文] 作者：DING Kai-Ning,XIA Xian-Zhu,LU Xin,LI Jun-Qian,
来源：黑龙江科技信息 年份：2013
本文通过对荣华二采区10...
[期刊论文] 作者：LI Jun-Qian,HU Xiao-Lin,ZHANG Yong-Fan,LI Hao-Hong,LI Yi,
来源：黑龙江科技信息 年份：2010
本文通过对荣华二采区10...
Interaction of Photoactive[Fe(CN)6]4-with TiO2 Anatase(101) Surface:A Periodic Density Functional Th
[期刊论文] 作者：XU Ying,CHEN Wen-Kai,CAO Mei-Juan,LIU Shu-Hong,LI Jun-Qian,
来源：黑龙江科技信息 年份：2007
本文通过对荣华二采区10...
[期刊论文] 作者：JIA Gui-Xiao,CHEN Lin-Gang,LI Jun-Qian,LI Yi,CHEN Yong,
来源：黑龙江科技信息 年份：2007
本文通过对荣华二采区10...
[期刊论文] 作者：LI Yi,NI Bi-Lian,HU Jian-Ming,ZHANG Yong-Fan,CHEN Wen-Kai,LI Jun-Qian,
来源：结构化学 年份：2008
The adsorption of cyanide on the top site of a series of transition metal M(100) (M = Cu, Ag, Au, Ni, Pd, Pt) surfaces via carbon and nitrogen atoms respectivel...
A Polymeric Iodiplumbate(Ⅱ) Templated by Conjugated Quaternary Ammonium: Synthesis, Band Structure a
[期刊论文] 作者：CHENG Li-Chuan,LI Hao-Hong,CHEN Zhi-Rong,LI Jun-Qian,HUANG Chang-Cang,CAI Zeng-Liang,
来源：黑龙江科技信息 年份：2007
本文通过对荣华二采区10...
Synthesis, Structure and DFT Investigation into a Copper(Ⅱ) Compound Consisting of 4,7-diphenyl-1,10
[期刊论文] 作者：LI Hao-Hong,CHEN Zhi-Rong,REN Yong-Gang,LI Jun-Qian,HUANG Chang-Cang,ZHAO Bin,
来源：黑龙江科技信息 年份：2005
本文通过对荣华二采区10...
Synthesis, Crystal Structure and Quantum Chemistry Calculation of a Bis(dafone) Di(dmf) Copper(Ⅱ) Co
[期刊论文] 作者：REN Yong-Gang,CHEN Zhi-rong,LI Hao-hong,ZHAO Bin,HUANG Chang-cang,LI Jun-Qian,
来源：黑龙江科技信息 年份：2005
本文通过对荣华二采区10...
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