SIMPLIFIED AB-INITIO CALCULATIONS ON HYDROGEN-CONTAINING MOLECULES

被引:26
|
作者
BROWN, RD
BURDEN, FR
WILLIAMS, GR
PHILLIPS, LF
机构
来源
THEORETICA CHIMICA ACTA | 1971年 / 21卷 / 02期
关键词
D O I
10.1007/BF00530219
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:205 / &
相关论文
共 50 条
  • [21] PROPIONALDEHYDE - AB-INITIO AND SEMIEMPIRICAL CALCULATIONS
    ALLINGER, NL
    HICKEY, MJ
    JOURNAL OF MOLECULAR STRUCTURE, 1973, 17 (02) : 233 - 237
  • [22] AB-INITIO CALCULATIONS ON BENZYL RADICAL
    HINCHLIFFE, A
    CHEMICAL PHYSICS LETTERS, 1972, 13 (06) : 594 - +
  • [23] AB-INITIO CALCULATIONS ON CLCN AND ONCL
    STOGARD, A
    CHEMICAL PHYSICS LETTERS, 1976, 40 (03) : 429 - 432
  • [24] AB-INITIO CALCULATIONS OF THE GIANT MAGNETORESISTANCE
    ZAHN, P
    MERTIG, I
    RICHTER, M
    ESCHRIG, H
    PHYSICAL REVIEW LETTERS, 1995, 75 (16) : 2996 - 2999
  • [25] AB-INITIO CALCULATIONS ON SULFONYLMETHYL ANIONS
    RAABE, G
    GAIS, HJ
    FLEISCHHAUER, J
    PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 1994, 95-6 (1-4): : 345 - 346
  • [26] Energy levels of atomic hydrogen in germanium from ab-initio calculations
    Almeida, L. M.
    Coutinho, J.
    Torres, V. J. B.
    Jones, R.
    Briddon, P. R.
    MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2006, 9 (4-5) : 503 - 506
  • [27] AB-INITIO CALCULATIONS OF HYDROGEN ADSORPTION ON (100) SURFACES OF PALLADIUM AND RHODIUM
    WILKE, S
    HENNIG, D
    LOBER, R
    PHYSICAL REVIEW B, 1994, 50 (04): : 2548 - 2560
  • [28] HYDROGEN DEFECT STATES IN GALLIUM-ARSENIDE - AB-INITIO CALCULATIONS
    ADAMS, TR
    ROBERSON, MA
    LICHTI, RL
    PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 1995, 72 (02): : 183 - 192
  • [29] AB-INITIO CALCULATIONS ON LARGE MOLECULES .3. AB-INITIO AND SEMIEMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON 1,6-METHANO[10]ANNULENE
    GRUNEWALD, GL
    UWAYDAH, IM
    CHRISTOFFERSEN, RE
    SPANGLER, D
    TETRAHEDRON LETTERS, 1975, (11) : 933 - 936
  • [30] THE PHOTOIONIZATION OF HYDROGEN-CONTAINING MOLECULES
    SUKHORUKOV, VL
    LAVRENTEV, SV
    DEMEKHIN, VF
    PETROV, ID
    KHIMICHESKAYA FIZIKA, 1984, 3 (03): : 359 - 365