Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Chemical Research In Chinese Universities》 1986-03
Add to Favorite Get Latest Update

Analytical Potential Function for Polyatomic Systems——Application to SSO and SOS

Z. H. Zhu (Chemistry Department, Chengdu University of Science and Technology, Chengdu)  
It is considerable interest to notice that a stable structure SSO is in Cs symmetry, but its melastable structure SOS in C2 v symmetry. Using the contracted split-type Gaussian base sets with polarization functions, SOS was discovered for the first time at HFSCF level. There have been no detailed studies, of the SSO surface, although it was examined by a microwave spectrum as early as 1959. In this paper an analytical potential function based on the many-body expansion has been derived for both the SSO and the SOS surfaces,which are adequate accuracy in the whole region for the dynamical research.
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
Chinese Journal Full-text Database 3 Hits
1 DONG Shu-bao~1,FENG Er-yin~(1, 2),HUANG Wu-ying~1,\ CUI Zhi-feng~(1, 2) (1. Laboratory of Spectroscopy and Materials, Anhui Normal University, Wuhu 241000, China;2. Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences,Hefei 230031, China);QUASI-CLASSICAL TRAJECTORY RESEARCH FOR O(~1D)+H_2(X~1Σ~+_g)REACTION[J];Journal of Anhui Normal University(Natural Science);2004-04
2 Wang Fanhou Zhu Zhenghe Huang Zheng Institute of atomic and molecular physics,Chengdu University of Science and Technology Chengdu 610065;THE DYNAMICS FOR REACTION F+H 2(v=0,j=0)HF(v′,j′)+H[J];CHINESE JOURNAL OF ATOMIC AND MOLECULAR PHYSICS;1996-04
3 Wang Fanhou 1,2 Jiang Gang 3 Jing Fuqian 1 Zhong Yanping 2 Zhu zhenghe 3 1 Lab. of shock Wave and Detonation Physics Research, Southwest Institute of Fluid Physics, CAEP. P. O. Box 523-61, Chengdu 61003, P. R. China 2 Yibin teacher′s C;THE STRUCTURE AND POTENTIAL ENERGY FUNCTION FOR H 2Cl + (X 1A 1) SYSTEM[J];CHINESE JOURNAL OF ATOMIC AND MOLECULAR PHYSICS;1998-04
Chinese Journal Full-text Database 10 Hits
1 FENG Er-yin, ZHANG Zhi, ZHENG Xian-feng (College of Physics and Electrical Information, Anhui Normal University, Wuhu 241000, China);NEWTON-RAPHSON METHOD APPLIED TO OPTIMIZE THE POTENTIAL PARAMETERS[J];Journal of Anhui Normal University(Natural Science);2001-03
2 HUANG Wu-ying;FENG Er-yin;YANG Feng;DONG Shu-bao(Department of Physics,Anhui Normal University, Wuhu 241000, China);AN AB INITIO POTENTIAL ENERGY SURFACE OF He-LiH[J];Journal of Anhui Normal University(Natural Science);2004-01
3 Jiang Gang;Zhu Zhenghe;Huang Zheng;Tan Mingliang (Institute of Atomic and Molecular Physics, Sichuan Union University, Chengdu 610065)Chen Hande; Hu Yibei(Institute of Nuclear Physics and Chemistry, Chinese Academy of Engineering Physics, Chengdu 610003);Spectra of Helium and Kryton by Alpha-Particle Impact Excitation[J];Acta Optica Sinica;1996-06
4 ZHU Zun lue 1,JIANG Yu hai 1,LIU Yu fang 1,MA Er jun 2,SUN Jin feng 1 (1.College of Physics and Intermation Engineering,Henan Normal University,Xinxiang,China,453002; 2.Department of Physics,Changshu College);e-Ar Scattering in Laser Field[J];JOURNAL OF HENAN NORMAL UNIVERSITY(NATURAL SCIENCE);2000-03
5 Yu Huagen;Xu Zongrong;Zhu Zhenghe Chemistry Department, Chengdu University of Science and Technology;Ab-initio Calculation and Analytical Potential Function for C_2H[J];化学物理学报(英文版);1989-02
6 Zhu Zhenghe Yu Huagen (Atomic and Molecular Physics Laboratory, Chengdu University of Science and Technology);Theoretical Study of Potential Energy Function for Ground State Molecule-Ion N_2H~+[J];Chinese Journal of Chemical Physics;1992-02
7 Shan Minghua;Zhu Zhenghe;Xu Zongrong;Yu Huagen (Institute of Atomic and Molecultr Physics,Chengdu University of Science and Technology,Chengdu 610065);The Study on the Atom and Molecule-Ion Reaction N'+ NH ̄+(0,0)→N+N'H ̄+(υ',j')[J];CHINESE JOURNAL OF CHEMICAL PHYSICS;1995-04
8 Han Keli* Xu Dali He Guozhong Lou Nanquan(State Key Laboratory of Molecular Reaction Dynamics,Dalian Institute of Chemical Physics,Chinese Academy of Sciences,Dalian 116023);Reaction Dynamics via Molecular Beam and Laser[J];CHINESE JOURNAL OF CHEMICAL PHYSICS;1998-01
9 LIU, Xiao-Ya ,a,b JIANG, Gang a CHEN, Han-De b LI, Quan a ZHU, Zheng-He a ( a Institute of Atomic and Molecular Physics of Sichuan University, Chengdu 610065) ( b Institute of Nuclear Physics and Chemistry, Mianyang 621900);Molecular Structure and Analytical Potential Energy Function for OUH System[J];Acta Chimica Sinica;2002-02
10 WANG He-yi~(1),FU Yi-bei~(1),ZHU Zheng-he~(2) (1.Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics,Mianyang 621900,China) (2.Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065,China);Adsorption study of hydrogen isotopes on metal yttrium by quantum mechanism computation[J];Chemical Research and Application;2004-04
【Secondary References】
Chinese Journal Full-text Database 1 Hits
1 HUANG Zheng a, ZHU Zhenghe b ( a Department of Applied Physics, Southwest Jiaotong University,Chengdu 610031,China) ( b Institute of Atomic and Molecular Physics, Sichuan University ,Chengdu 610065 ,China);DIFFERENTIAL CROSS SECTION FOR ELASTIC COLLISION OF H+F[J];CHINESE JOURNAL OF ATOMIC AND MOLECULAR PHYSICS;1999-02
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved