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《Acta Scicentiarum Naturalum Universitis Pekinesis》 1982-03
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The INDO Method Applicable to the Electronic Structure Calculation of Lanthanide Compounds I. The Formulas Required for Computer Programming

Ren Jingqing, Li Lemin, Wang Xiuzhen, Hsu Kwanghsien Department of Chemistry  
We have extended the INDO method to inclusion of f orhitals, so that it is applicable to the electronic structure calculation of lanthanide compounds. In this paper, we give the formulas required for computer programming including the expressions of rotation matrices, core integrals and one center two electron repulsion integrals and the formulas used to ensure the convergence and to annihilate the contamination of spin excited states.
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Chinese Journal Full-text Database 10 Hits
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【Co-citations】
Chinese Journal Full-text Database 10 Hits
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4 Xiao Heming Li Yongfu Zhou Kouhong Fan Jianfen (East China Institute of Technology);BANDING AND ELECTRONIC STRUCTURE OF CELLULOSE TRINITRATE[J];Acta Armamentarii;1991-04
5 Tang Zehua Xiao Heming Li Yongfu Wang Daxi (Nanjing University of Science & Technology);A STUDY ON THE GEOMETRY AND ELECTRONIC STRUCTURE OF DDNP[J];Acta Armamentarii;1993-02
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10 Liu Yi(Department of Basic Courses , Beijing Institute of Light Industry , Beijing 100037);DETERMINING THE FORCE CONSTANTS OF MOLECULES BY MICROVIBRATION THEORY[J];JOURNAL OF BEIJING INSTITUTE OF LIGHT INDUSRY;1997-03
【Co-references】
Chinese Journal Full-text Database 10 Hits
1 Huang Chunhui Li BiaoguoYang Qinchuan Tian Shujian Hsu Kwanghsien Department of Chemistry;Studies on Rare Earth Complexes of Quaternary Ammonium Salt(1)——The synthesis and structural determination of tetrabutyl ammonium hexanitrato neodymate[J];Acta Scicentiarum Naturalum Universitis Pekinesis;1984-05
2 Li Jian, Ren Jingqing, Chen Minbo, Xu Guangxian (Department of Chemistry);A Localized INDO Method Including d and f AO's into the Basis Set[J];Acta Scicentiarum Naturalum Universitis Pekinesis;1989-02
3 THE (nxcπ) FORMALISMXu Guangxian (Hsu Kwang-Hsien)(Department of Chemistry, Peking University, Beijing);STRUCTURAL RULES OF CLUSTER COMPOUNDS AND RELATED MOLECULES (Ⅰ)[J];Chemical Research In Chinese Universities;1982-S1
4 Wang Genglin, Yan Shiping and Li Xueyao (Department of Chemistry, Nankai University, Tianjin);STUDY ON SYNTHESIS ANp CHARACTERIZATION OF THE COMPLEX OF Eu (Ⅱ) PERCHLQRATE AND DIBENZO-18-CROWN-6[J];Chemical Research In Chinese Universities;1983-01
5 Tan Minyu, Wang Liufang and Ma Tairu (Department of Chemistry, Lanzhou University, Lanzhou)Shu Cisheng, Yu Lanping and Qian Limin (Coatinginstitute of Chemical Industry Department);STUDIES ON COMPLEXES OF RARE EARTH AND CROWN ETHERS(Ⅲ)——SYNTHESIS AND CHARACTERIZATION OF THE COMPLEXES OF Sc(NO3)3WITH o-BENZENEDIKE- TONES-17-CROWN-5 AND o-BENZENEDIKETO- NES-14-CROWN-4[J];Chemical Research In Chinese Universities;1983-03
6 Wang Jingqiu, Yang Zhikuan, Wan Jie, Ji Zhenping and Xiao Wenjin(Department of Chemistry, Wuhan University, Wuhan);STUDIES ON RARE-EARTH COMPLEXES OF CROWN ETHER (Ⅲ)——COMPLEXES OF THE LIGHT RARE-EARTH AND YTTRIUM NITRATES WITH 2,3,11,12-TETRAPHENYL-1,4,7,10,13,16- HEXAOXO-2,11-CYCLOOCTADECADIENE[J];Chemical Research In Chinese Universities;1983-06
7 Li Zhenxiang and Ni Jiazan(Changchun Institute oj Applied Chemistry, Academia Sinica, Changchun)Xu Guangxian and Ren Jingqing (Department oj Chemistry, Peking University, Beijing);A Study on Electronic Structure of the Complex of Praseodymium Nitrate with Benzo-12-Crown-4[J];Chemical Research In Chinese Universities;1986-06
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9 Jiang Haiying, Song Disheng and Lu Yugang (Northwest University)Yan linying(Shanxi Institute of Chemical Industry,Li Xiuzhen, Zhu Zhenhua and An Youzhen(Xtbei Institute of Rubber Goods);Complexes of Crown Ether with the Rare Earth Nitrates (ⅩⅥ)——Synthesis and Characterization of Complexes RE(NO_3)_3·B12C4·xH_2O[J];Chemical Research In Chinese Universities;1987-03
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【Secondary References】
Chinese Journal Full-text Database 10 Hits
1 Ren Jingqing Li Lemin (Department of Chemistry, Peking University);A Study on Mechanism of Paramagnetic Shift of NMR Spectra of LnF85-[J];Acta Scicentiarum Naturalum Universitis Pekinesis;1985-06
2  LIU Wenjian LIN Xianjie LI Lemin (College of Chemistry and Molecular Engineering,State Key Laboratory of Rare Earth Materials Chemistry and Applications,Peking University,Beijing,100871);Study on the Electronic Structure and Chemical Bonding of Eu 2S and EuS 2 by Means of Density Functional Theory[J];ACTA SCICENTIARUM NATURALUM UNIVERSITIS PEKINESIS;1998-04
3 Zhang Shiguo Binzhou Teachers College,Binzhou,Shandong,256604;A Quantum Chemistry Study on Carbonyl Addition[J];JOURNAL OF BINZHOU TEACHERS COLLEGE;1999-02
4 Ma Qinghe , Cai Xinhua , Song Tianle. Meng Lingpeng, Zheng Shijun (Department of Chemistry, Hebei Teachers' College, Shijiazhuang 050091);Study on Colour Reaction of Chlorophosphonazo I With Rare Earth Elements Based on Quantum Chemical Calculation[J];Chinese Journal of Analytieal Chemistry;1995-06
5 Wang Xukun, Zhang Mingjie, Wang Zhefu, Jing Xuying ,Wang Jitao (Institute of Elementoorganic Chemistry, Nankai University, Tianjin)Lin Chuai (Central Laboratory,Nankai University,Tian jin);Synthesis and Spectroscopic Properties of Tetrakis(triphenylphosphine oxide )dichlorolanthanide-Cupric Trichlorides[J];Chemical Research In Chinese Universities;1989-09
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7 MENG Qing-Bo,LI Zhen-Xiang,LIN Guan-Yang,CHEN Wen-Qi(Laboratory of Rare Earth Chemistry and Physics,Changchun Institute of Applied Chemistry,Chinese Academy of Science,Changchun,130022)GUO Chun-Xiao(Department of Chemistry,Mm University,Changchun);Studies on Bond Character of Phenyl Rare Earth Gadolinium Complex[J];Chemical Research In Chinese Universities;1992-12
8 ZHANG Shi-Guo; LI Hong(Department of Chemistry, Binzhou Teachers College,Binzhou,256604)YANG Pin(Institute of Molecular Science,Shanxi University);Theoretical Studies on the Active Conformation for Double-Ring β-Lactam Antibioties[J];CHEMICAL RESEARCH IN CHINESE UNIVERSITIES;1995-11
9 Lian ping Liu Haiyang Zhong Ronghui Huang Xinlong ( Department of Chemistry);ADVANCE IN STUDY OF COORDINATION COMPOUNDS OF RARE EARTH WITH AMINO ACID[J];Journal of Gannan Teacher's College;1993-S1
10 ZHANG Wei and YAN Hongtao(Department of Chemistry, Northwest University, 710069 Xi'an);FLUORESCENCE ENHANCEMENT OF NINHYDRIN--AMINO ACID IN THE PRESENCE OF RARE EARTH[J];SPECTROSCOPY AND SPECTRAL ANALYSIS;1995-03
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