AB-INITIO STUDIES OF THIOFORMOHYDROXAMIC ACID

被引:0
|
作者
SEKHON, BS
机构
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Ab initio Hartree-Fock molecular orbital calculations for Z and E-keto forms of thioformohydroxamic acid (methanethioamide, N-hydroxy) were carried out using the 3-21 g* basis sets. The optimized parameters of thioformohydroxamic acid are discussed in relation to formohydroxamic acid.
引用
收藏
页码:237 / 238
页数:2
相关论文
共 50 条
  • [31] AB-INITIO STUDIES OF H CHEMISORPTION ON C(100) SURFACE
    JING, Z
    WHITTEN, JL
    SURFACE SCIENCE, 1994, 314 (02) : 300 - 306
  • [32] ACETONE, AB-INITIO CALCULATIONS
    ALLINGER, NL
    HICKEY, MJ
    TETRAHEDRON, 1972, 28 (08) : 2157 - &
  • [33] AB-INITIO CALCULATIONS ON UREA
    ELBERT, ST
    DAVIDSON, ER
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (06) : 857 - 892
  • [34] AB-INITIO LIQUID WATER
    LAASONEN, K
    SPRIK, M
    PARRINELLO, M
    CAR, R
    JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (11): : 9080 - 9089
  • [35] Ab-initio ZORA calculations
    Faas, S
    Snijders, JG
    van Lenthe, JH
    QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, VOL 1: BASIC PROBLEMS AND MODEL SYSTEMS, 2000, 2 : 251 - 261
  • [36] THEORETICAL-STUDIES ON MOLECULAR EQUILIBRIUM GEOMETRIES OF PICOLINIC-ACID WITH AB-INITIO CALCULATIONS
    FAN, KN
    WANG, WN
    PAN, SL
    ACTA CHIMICA SINICA, 1995, 53 (01) : 20 - 25
  • [37] THE AB-INITIO ENERGETICS OF OXIDES
    GILLAN, MJ
    MANASSIDIS, I
    DEVITA, A
    PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1994, 69 (05): : 879 - 888
  • [38] AN AB-INITIO STUDY OF CUCO
    BAUSCHLICHER, CW
    JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (02): : 1215 - 1218
  • [39] AN AB-INITIO STUDY OF HCUCO
    BAUSCHLICHER, CW
    CHEMICAL PHYSICS LETTERS, 1994, 229 (06) : 577 - 580
  • [40] AB-INITIO STUDIES OF RELATIVE ENERGETICS OF GLYCINE AND ITS ZWITTERION
    TSE, YC
    NEWTON, MD
    VISHVESHWARA, S
    POPLE, JA
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (14) : 4329 - 4331