Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Jilin Normal University Journal(Natural Science Edition)》 2013-04
Add to Favorite Get Latest Update

Theoretical Study on the Structural Characteristics of Chiral Alpha Alanine Under Isolated Condition

LIU Feng-ge;ZHAO Yan-hui;QIAN Yan;LUO Xiang-yi;MA Hong-yuan;YU Tian-rong;WANG Zuo-cheng;Medicine two Department,Baicheng Medical College;Physics Department,Baicheng Normal College;Media Department,Baicheng Normal College;  
In this paper,we theoretically calculated the structural characteristics of chiral Alpha Alanine under isolated condition using the B3LYP method based on density functional theory with the 6-31+g( d,p) basis set and Gaussian03.First,three kind of possible configurations of alpha alanine molecular was optimized,then we obtained three stable configuration by calculating the infrared vibration frequency.Then we ascertained the most likely configuration of alpha alanine molecules through the principle of the lowest energy.And we got the structure of it 's enantiomers by the space structure characteristics of chiral molecular,carried out the optimization structure.Finally calculated VCD spectrum and the molecular frontier orbital on B3LYP/6-31+g( d,p) level.
【Fund】: 吉林省科技发展计划资助项目(20130101131JC);; 国家自然科学基金项目(11004076);; 白城师范学院科技计划重点项目(2013第A2号)
【CateGory Index】: O561
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
【Co-citations】
Chinese Journal Full-text Database 10 Hits
1 ZHU Guang-lai~(1,2),LI Chun-yan~1,XU Xin-sheng~1,CUI Zhi-feng~1 (1. College of Physics and Electrical Information, 2. Library, Anhui Normal University, Wuhu 241000, China);GROUP THEORY AND THE TERMS OF HETERONUCLEAR DIATOMIC MOLECULAR[J];Journal of Anhui Normal University(Natural Science);2003-04
2 LI Xiu-ping1,REN Qiang2,ZHOU Han2(1.North University of China,Taiyuan 030051,China;2.Research Institute of Petroleum Processing,Beijing 100083,China);Molecular Simulation on Cross-linking Reaction of PVC/NBR[J];Journal of Materials Science and Engineering;2012-04
3 LONG Wei, XU Wen-yuan, DU Rui-huan, HAO Wei (East China Jiaotong University, Nanchang 330013, China);The Pyrolysis Mechanism of 1,1,2,2-Tetramethyl-1,2-Dichlorodisilane[J];Guangzhou Chemistry;2010-01
4 ZHAO Xiu-ying SUN Tao WANG Yi-bo(Key Laboratory of Guizhou High Performance Computational Chemistry,Department of Chemistry,Guizhou University,Guiyang,Guizhou 550025,China);Study on Application of Model Core Potential to Intermolecular Interaction[J];Guizhou Science;2011-05
5 WANG Jia;Institute of Entomology,College of Plant Protection,Southwest University;;Exploration of Teaching Reform of Molecular Biologyfor Agricultural Specialties[J];Newsletter of Sericultural Science;2013-02
6 LIU Feng-ge;ZHAO Yan-hui;ZHANG Xin;MA Hong-yuan;WANG Zuo-cheng;Department II of Medical Science,Baicheng Medical College;College of Physics,Baicheng Normal University;;Theoretical Study on Structural Characteristics of Chiral Ibuprofen Molecule[J];Journal of Baicheng Normal University;2013-05
7 Yang Shengyong; Xiao Shenxiu; Chen Tianlang ;Wang Rongsun (Institute of Chemistry Sichuan University Chengdu 610064);The Electronic Structures of Dawson-type Heteropoly Anion Molybdodisulfate[J];CHINESE JOURNAL OF CHEMICAL PHYSICS;2000-01
8 MA Li-hui1,2,TAN Run-hua2(1.School of Quality & Technical Supervision,Hebei University,Baoding 071002,China;2.Institute of Design for Innovation,Hebei University of Technology,Tianjin 300130,China);Transferring method from TRIZ solutions to domain solutions[J];Computer Integrated Manufacturing Systems;2008-10
9 LIU Fang JIANG Ping TAN Runhua(School of Mechanical Engineering,Hebei University of Technology,Tianjin 300130);Product Integrated Innovation Based on the Technological Hybridization[J];Journal of Mechanical Engineering;2011-21
10 YANG Zhong-zhi1,ZHOU Wei-wei2(1.School of Chemistry and Chemical Engineering,Liaoning Normal University,Dalian 116029,China; 2.School of Physics and Electronic Technology,Liaoning Normal University,Dalian 116029,China);Study on the overlap integral of Mulliken population analysis[J];Journal of Liaoning Normal University(Natural Science Edition);2012-03
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved