PARAMETERS FOR THE METHYL-GROUP IN MOLECULAR-ORBITAL CALCULATIONS

被引:0
|
作者
PARKANYI, C [1 ]
HERNDON, WC [1 ]
SHAWALI, AS [1 ]
机构
[1] UNIV TEXAS,DEPT CHEM,EL PASO,TX 79968
来源
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1980年 / 179卷 / MAR期
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:79 / PHYS
相关论文
共 50 条
  • [21] MOLECULAR-ORBITAL CALCULATIONS ON ANTIVIRAL AGENTS
    FLORA, LS
    YATES, PC
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1990, 66 (1-2): : 15 - 22
  • [22] INFRARED INTENSITY OF METHYL SYMMETRIC STRETCHING VIBRATION FROM MOLECULAR-ORBITAL CALCULATIONS
    LOZANOVA, C
    GALABOV, B
    REDSHAW, M
    ORVILLETHOMAS, WJ
    JOURNAL OF MOLECULAR STRUCTURE, 1982, 81 (1-2) : 139 - 142
  • [23] INDO MOLECULAR-ORBITAL CALCULATIONS OF DIPOLE-MOMENT AND CONFORMATION OF METHYL FORMATE AND METHYL FLUOROFORMATE
    BOCK, E
    TOMCHUK, E
    BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1973, 77 (06): : 425 - 427
  • [24] REFINEMENT OF MOLECULAR MECHANICS PARAMETERS FOR DEFORMED BENZENE BASED ON ABINITIO MOLECULAR-ORBITAL CALCULATIONS
    TSUZUKI, S
    TANABE, K
    JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1990, (10): : 1687 - 1692
  • [25] THE REACTIVITIES OF GROUP-8 KETENYLIDENE CLUSTERS EXPLAINED BY MOLECULAR-ORBITAL CALCULATIONS
    OBRIEN, JF
    LONG, GJ
    BUHL, ML
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1993, 206 : 199 - INOR
  • [26] MOLECULAR MECHANICS AND MOLECULAR-ORBITAL CALCULATIONS ON QUINAZOLINE ANTIFOLATES
    MCMILLAN, L
    WELSH, WJ
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1988, 195 : 38 - MEDI
  • [27] STATUS OF MOLECULAR-ORBITAL CALCULATIONS ON PORPHYRINS AND THEIR COMPLEXES
    CHANTRELL, SJ
    MCAULIFFE, CA
    MUNN, RW
    PRATT, AC
    COORDINATION CHEMISTRY REVIEWS, 1975, 16 (04) : 259 - 284
  • [28] MOLECULAR-ORBITAL CALCULATIONS FOR THE REACTION FRAGMENT NSN
    LAIDLAW, WG
    TRSIC, M
    INORGANIC CHEMISTRY, 1981, 20 (06) : 1792 - 1794
  • [29] MOLECULAR-ORBITAL CALCULATIONS ON STRUCTURE OF BARBITURATE RECEPTOR
    HOLTJE, HD
    ARCHIV DER PHARMAZIE, 1977, 310 (08) : 650 - 662
  • [30] MOLECULAR-ORBITAL CALCULATIONS OF CU-HALIDES
    ITOH, H
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1981, 36 (10): : 1095 - 1099