MOLECULAR-ORBITAL CALCULATIONS OF THE DISSOCIATIVE ADSORPTION OF A HYDROGEN MOLECULE ON A 14 ATOM NICKEL CLUSTER

被引:33
|
作者
RUETTE, F
HERNANDEZ, A
LUDENA, EV
机构
关键词
D O I
10.1016/0039-6028(85)90457-1
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:103 / 127
页数:25
相关论文
共 50 条
  • [31] MOLECULAR-ORBITAL CALCULATIONS ON THE BENZOATE ION
    MOSER, CM
    JOURNAL OF THE CHEMICAL SOCIETY, 1953, (APR): : 1073 - 1078
  • [32] ABINITIO MOLECULAR-ORBITAL CALCULATIONS ON SI2H4 MOLECULE
    DAUDEL, R
    KARI, RE
    POIRIER, RA
    GODDARD, JD
    CSIZMADIA, IG
    JOURNAL OF MOLECULAR STRUCTURE, 1978, 50 (01) : 115 - 121
  • [33] NOTE ON MOLECULAR-ORBITAL CALCULATIONS OF FURFURYLTRIMETHYLAMMONIUM
    CROW, JW
    JOURNAL OF MEDICINAL CHEMISTRY, 1973, 16 (06) : 728 - 729
  • [34] MOLECULAR-ORBITAL CALCULATIONS ON A HOME MICROCOMPUTER
    ROGERS, DW
    ANGELIS, BP
    MCLAFFERTY, FJ
    AMERICAN LABORATORY, 1983, 15 (11) : 54 - &
  • [35] MOLECULAR-ORBITAL CALCULATIONS ON SUBSTITUTED BENZENECHROMIUMTRICARBONYLS
    FITZPATRICK, NJ
    NAKASONE, H
    REVISTA LATINOAMERICANA DE INGENIERIA QUIMICA Y QUIMICA APLICADA-LATIN AMERICAN JOURNAL OF CHEMICAL ENGINEERING AND APPLIED CHEMISTRY, 1979, 10 (02): : 59 - 61
  • [36] MOLECULAR-ORBITAL CALCULATIONS OF SOLID LUBRICANTS
    STEWART, TB
    WINTER, NW
    PITZER, RM
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1993, 205 : 205 - COLL
  • [37] STRUCTURE-PROPERTY RELATIONS OF GLASSES BASED ON MOLECULAR-ORBITAL CLUSTER CALCULATIONS
    SCHAAKE, HF
    HENCH, LL
    AMERICAN CERAMIC SOCIETY BULLETIN, 1972, 51 (04): : 374 - &
  • [38] MOLECULAR-ORBITAL CALCULATIONS ON ANTIVIRAL AGENTS
    FLORA, LS
    YATES, PC
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1990, 66 (1-2): : 15 - 22
  • [39] ON THE USE OF FROZEN ORBITALS IN MOLECULAR-ORBITAL CLUSTER CALCULATIONS - CL ON SI(111)
    MASIP, J
    RUBIO, J
    ILLAS, F
    CHEMICAL PHYSICS LETTERS, 1985, 120 (06) : 513 - 516
  • [40] DEFECTS AND ELECTRONIC-STRUCTURE OF INTERFACES IN ZNO - CLUSTER MOLECULAR-ORBITAL CALCULATIONS
    SUKKAR, MH
    JOHNSON, KH
    TULLER, HL
    MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECHNOLOGY, 1990, 6 (01): : 49 - 59