An ab initio study of internal rotation in cyclohexanecarboxaldehyde and cyclohexanecarboxylic acid fluoride and chloride

被引:0
|
作者
机构
来源
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [31] An ab Initio Study of Tetrathiosquaric Acid
    HUANG Zun-Xing
    ZHOU Li-Xin
    TIAN An-MinZHANG Yong-Fan
    LI Jun-Qian(Department of Chemistry
    结构化学, 1997, (05) : 407 - 412
  • [32] BARRIER TO INTERNAL-ROTATION IN H2BSSBH2 - AN AB-INITIO STUDY
    GROPEN, O
    ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1975, 29 (09): : 873 - 874
  • [33] Internal rotation in ortho-chloro-substituted biphenyls. Ab initio and molecular dynamics study
    Szymoszek, A
    Koll, A
    CHEMICAL PHYSICS LETTERS, 2003, 373 (5-6) : 591 - 598
  • [34] AB INITIO CALCULATION AND ENERGY PARTITION OF THE POTENTIAL BARRIER TO INTERNAL ROTATION IN ETHANE
    Zhang Qiyuan
    Yan Jimin
    ACTA PHYSICO-CHIMICA SINICA, 1991, 7 (03) : 337 - 341
  • [36] An ab initio and neutron diffraction study of ammonium chloride
    Alavi, A
    Lynden-Bell, RM
    Willis, PA
    Swainson, IP
    Brown, RJC
    CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1998, 76 (11): : 1581 - 1587
  • [37] An ab initio MO study on the hydrolysis of methyl chloride
    Aida, M
    Yamataka, H
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 461 : 417 - 427
  • [38] Raman and infrared spectra, conformational stability, barriers to internal rotation and ab initio calculations for 3-methyl-2-butenoyl fluoride
    Durig, JR
    Guirgis, GA
    Jin, YP
    JOURNAL OF MOLECULAR STRUCTURE, 1996, 380 (1-2) : 31 - 42
  • [39] Internal dynamics in azetidine:: A microwave and ab initio study
    López, JC
    Blanco, S
    Lesarri, A
    Alonso, JL
    JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (05): : 2237 - 2250
  • [40] An ab initio study of intermolecular interaction of hydrogen fluoride tetramer
    Li, Jinshan
    JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2006, 5 (02): : 187 - 196