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《北京化工学院学报(自然科学版)》 1991-01
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A Study of Electronis Structure of Allyl Alcohol-Cu(Ⅰ)

Lu Chongxian (Beijing Instiute of Chemical Technology) Ye Xueqi (Beijing Craduate School, Academia Sinica) Zhao Bangrong(Beijing Institute of Chemical Techology)  
The infrared and ultraviolet spectra of allyl alcohol-Cu(I) complex are measured and discussed. The molecular orbital energy levels and charge distribution of this complexes are computed using EHMO semiempirical MO method. The orbital components are analyzed, together with comparison on electronic charges and bond orders before and after reaction. Based on these results, a possible reaction process which catalyzes synthesis of allyl butyl ether is presented.
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【Co-citations】
Chinese Journal Full-text Database 10 Hits
1 Yang Wenhuo (Fujian Institute of the Structure of Mafter, Academia Sinica);THE CALCULATION OF NUCLEAR SPIN-SPIN COUPLING CONSTANTS Ⅲ THE CALCULATION OF H-H COUPLING CONSTANTS ~3J、~4J、~5J……IN HYDROCARBON MOLECULES[J];Chinese Journal of Magnetic Resonance;1984-Z1
2 Cong Entong\ Zhang Shiguo (Department of Chemistry, Binzhou Teachen College, Binzhou 256604);QUANTUM CHEMISTRY MECHANISM OF CORROSION RESISTER[J];JOURNAL OF QINGDAO UNIVERSITY(NATVRAL SCIENCE);1998-01
3 She Jingzeng Gao Xinsheng(Department of Marine Chemistry) (Computer Lab.);THE QUANTUM CHEMICAL INVESTIGATION ON SILCON-SILCON DOUBLE BOND[J];;1984-02
4 Zhang Ruiqin (Department of Physics, Shandong University, Jinan) Cai Zhengting and Guan Daren(Institute of Theoretical Chemistry, Shandong University, Jinan);THEORETICAL CALCULATIONS OF ELECTRONIC STRUCTURES FOR SOLID MATERIALS BY THE CLUSTER-QUANTUM CHEMISTRY METHOD[J];Journal of Shandong University;1989-01
5 Shi Laishun Lü Wei Wan Liping (Dept. of Chem.Eng.,Shandong University of Technology,Jinan 250061);QUANTUM CHEMISTRY STUDY ON FIRE RETARDANT AGENT HALOPHENOLS AND ITS DERIVATES RESEARCH ON LINEAR POLYMER STRUCTURE[J];JOURNAL OF SHANDONG UNIVERSITY OF TECHNOLOGY;1998-03
6 Li Qingming, XuGuangtong, Applied Chemistry Department, Shandong Building Material Institute, Jinan, 250022; Hou.Jingde, The Center of Analysis and Measurement, Zhejiang University, Hangzhou, 310027;Study on the Parameters of Capacity Factor Model of Reversed-Phase High Performance Liquid Chromato- graphy with Quantum Chemistry[J];Chinese Journal of Chromatography;1992-03
7 He Xiaofeng;Yang Pin(Departmert of Chemistry,Shanxi University);MOLECULAR MECHAMICAL AND QUANTUM CHEMICAL STUDIES OF FLAVONE[J];JOURNAL OF SHANXI UNIVERSITY (NATURAL SCIENCE EDITION);1994-02
8 Yao Chongfu ( Department of Chemistry );Bonding Situation of A_2 H_n ( n=2-6 )[J];;1992-S4
9 LEI Ying-jie~(1,2) (1.College of Pharmaceulticals and Biotechnology,Tianjin University,Tianjin 300072,China; 2.College of Biotechnology and Chemical Engineering, Tianjin Institute of Technology, Tianjin 300191, China);Electronic structure and antitumor activities of 20 (s) Camptothecin[J];Journal of Tianjin Institute of Technology;2004-02
10 LEI Ying-jie~1,YANG Yi-cheng~2,SHI Xiao-feng~1(1.School of Biotech and Chemical Engineering,Tianjin University of Technology,Tianjin 300191,China;2.College of Pharmaceuticals and Biotechnology,Tianjin University,Tianjin 300072,China);Quantum chemical calculation on structure of the natural antitumor agent-Genistein[J];Journal of Tianjin University of Technology;2006-03
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