MOLECULAR MECHANICS CALCULATION ON THE HYDROXYL STRETCHING FREQUENCY IN SATURATED ALCOHOLS

被引：15
|
作者：
CABALLERO, JC
VANDERMAAS, JH
机构：
来源：
JOURNAL OF MOLECULAR STRUCTURE | 1985年 / 127卷 / 1-2期
关键词：
D O I：
10.1016/0022-2860(85)80150-2
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：57 / 75
页数：19
相关论文
共 50 条
  • [11] CALCULATION OF SYMMETRIC STRETCHING FREQUENCY IN MOLTEN BEF2 BY MOLECULAR-DYNAMICS METHOD
    TAKAGI, R
    OKADA, I
    KAWAMURA, K
    JOURNAL OF NUCLEAR SCIENCE AND TECHNOLOGY, 1977, 14 (04) : 288 - 291
  • [12] 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
  • [13] Parameterization Procedures in Molecular Mechanics Calculation
    Wang Junmei
    Zhao Zhuliu
    Ye Xueqi
    ACTA PHYSICO-CHIMICA SINICA, 1995, 11 (05) : 424 - 428
  • [14] 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
  • [15] Fractal phenomena in molecular mechanics calculation
    Yizhuang Xu
    Zhida Chen
    Jinguang Wu
    Xiuzhen Wang
    R. D. Soloway
    Jingqing Ren
    Datao Xie
    Lemin Li
    Guangxian Xu
    Science in China Series B: Chemistry, 1997, 40 : 419 - 427
  • [16] CALCULATION OF ALCOHOL CONFORMATIONS BY MOLECULAR MECHANICS
    BURKERT, U
    TETRAHEDRON, 1979, 35 (02) : 209 - 212
  • [17] MOLECULAR MECHANICS CALCULATION FOR HELICAL POLYACETYLENE
    QIAN, MX
    CAO, Y
    FU, H
    TANG, YQ
    CHANG, FG
    ZHU, MH
    SYNTHETIC METALS, 1989, 30 (01) : 1 - 8
  • [18] Theoretical Calculation of the NtC Stretching Vibration Frequency in Acetonitrile
    Russ J Inorg Chem, 10 (1626):
  • [19] Fluorine substitution effects on the oh stretching band in the infrared spectrum of saturated alcohols.
    Mire, B
    Free, K
    Lewis, JD
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1999, 217 : U370 - U371
  • [20] STRUCTURAL INFORMATION FROM THE INTEGRATED INTENSITY OF THE OH-STRETCHING BAND OF SATURATED ALCOHOLS
    SINGELENBERG, FAJ
    LUTZ, ETG
    VANDERMAAS, JH
    APPLIED SPECTROSCOPY, 1986, 40 (08) : 1093 - 1098
12345