A MOLECULAR MECHANICS CALCULATION OF CONFORMATIONAL ENERGIES AND BARRIER HEIGHTS IN HALOALKANES

被引:55
|
作者
ABRAHAM, RJ [1 ]
STOLEVIK, R [1 ]
机构
[1] UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
关键词
D O I
10.1016/0009-2614(81)85624-2
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:181 / 185
页数:5
相关论文
共 50 条
  • [31] CALCULATION OF SCHOTTKY-BARRIER HEIGHTS FROM SEMICONDUCTOR BAND STRUCTURES
    TERSOFF, J
    SURFACE SCIENCE, 1986, 168 (1-3) : 275 - 284
  • [32] CONFORMATIONAL ANALYSIS ON ANTICHOLINERGIC DRUG (Ⅰ) MOLECULAR MECHANICS MMPM CALCULATION OF ATROPINE AND OTHER ALKALOIDS IN THE BELLADONNA PLANT
    Wen Xiang HU~* Liu Hong YUN Shu Sen LI~(**) Institute of Pharmacology and Toxicology
    ChineseChemicalLetters, 1992, (04) : 271 - 274
  • [33] Calculation of Current in Multiple Quantum Well Structure with Variable Barrier Heights
    Mukherjee, Kasturi
    Das, N. R.
    2009 4TH INTERNATIONAL CONFERENCE ON COMPUTERS AND DEVICES FOR COMMUNICATION (CODEC 2009), 2009, : 215 - 218
  • [34] Molecular mechanics and conformational analysis in drug design
    Slutsky, Bruce
    Venanzi, Carol A.
    Journal of Chemical Information and Computer Sciences, 2000, 40 (03):
  • [35] A molecular mechanics conformational study of peptide T
    Godjayev, NM
    Akyuz, S
    Akverdieva, G
    JOURNAL OF MOLECULAR STRUCTURE, 1997, 403 (1-2) : 95 - 110
  • [36] Molecular basis of conformational changes and mechanics of integrins
    Gaikwad, Hanmant K.
    Jaswandkar, Sharad V.
    Katti, Kalpana S.
    Haage, Amanda
    Katti, Dinesh R.
    PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 2023, 381 (2250):
  • [37] CONFORMATIONAL-ANALYSIS OF LEVANBIOSE BY MOLECULAR MECHANICS
    LIU, JH
    WATERHOUSE, AL
    CARBOHYDRATE RESEARCH, 1992, 232 (01) : 1 - 15
  • [38] Fractal phenomena in molecular mechanics calculation
    Xu, YZ
    Chen, ZD
    Wu, JG
    Wang, XZ
    Soloway, RD
    Ren, JQ
    Xie, DT
    Li, LM
    Xu, GX
    SCIENCE IN CHINA SERIES B-CHEMISTRY, 1997, 40 (04): : 419 - 427
  • [39] Parameterization Procedures in Molecular Mechanics Calculation
    Wang Junmei
    Zhao Zhuliu
    Ye Xueqi
    ACTA PHYSICO-CHIMICA SINICA, 1995, 11 (05) : 424 - 428
  • [40] Fractal phenomena in molecular mechanics calculation
    徐怡庄
    陈志达
    吴瑾光
    王秀珍
    R.D.Soloway
    任镜清
    谢大韬
    黎乐民
    徐光宪
    Science in China(Series B), 1997, (04) : 419 - 427