QUANTUM-CHEMICAL CALCULATION OF ATOMIC PD CLUSTERS AND THEIR INTERACTION WITH CHEMISORBED SPECIES .1. CALCULATION OF PD ... H-2 AND PD2 ... H-2 SYSTEMS BY CNDO METHOD

被引:0
|
作者
KUZMINSKII, MB
BAGATURYANTS, AA
机构
关键词
D O I
暂无
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:128 / 132
页数:5
相关论文
共 50 条
  • [1] MECHANISM OF CATALYTIC REDUCTION OF NO BY H-2 OR CO ON A PD FOIL - ROLE OF CHEMISORBED NITROGEN ON PD
    OBUCHI, A
    NAITO, S
    ONISHI, T
    TAMARU, K
    [J]. SURFACE SCIENCE, 1982, 122 (02) : 235 - 255
  • [2] CALCULATION OF H-H POTENTIAL ENERGIES AND FUSION RATES IN PD2,4H-2 CLUSTERS
    LOUIS, E
    MOSCARDO, F
    SANFABIAN, E
    PEREZJORDA, JM
    [J]. PHYSICAL REVIEW B, 1990, 42 (08): : 4996 - 4999
  • [3] NON-EMPIRICAL CALCULATION OF THE REACTION PATTERN OF THE H-2 DISSOCIATION ADDITION TO PD ATOMS
    BAGATURYANTS, AA
    ANIKIN, NA
    ZHIDOMIROV, GM
    KAZANSKII, VB
    [J]. ZHURNAL FIZICHESKOI KHIMII, 1982, 56 (12): : 3017 - 3022
  • [4] SULFUR POISONING ON PD(100) - CO AND H-2
    OUTKA, DA
    BURKE, ML
    MADIX, RJ
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1985, 190 (SEP): : 15 - COL
  • [5] Dissociative adsorption of H-2 on the Pd(111) surface
    Dong, W
    Kresse, G
    Hafner, J
    [J]. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, 1997, 119 (1-3) : 69 - 76
  • [6] WIDE-RANGE NOZZLE BEAM ADSORPTION DATA FOR THE SYSTEMS H-2 NICKEL AND H-2/PD(100)
    RENDULIC, KD
    ANGER, G
    WINKLER, A
    [J]. SURFACE SCIENCE, 1989, 208 (03) : 404 - 424
  • [7] Subsurface effects in the dissociation of H-2 on Pd(111)
    Munn, NS
    Clary, DC
    [J]. CHEMICAL PHYSICS LETTERS, 1997, 266 (5-6) : 437 - 442
  • [8] QUANTUM-CHEMICAL CALCULATION OF THE BETA-ELIMINATION OF H-2 AND THE 1,2(2,1)-H EXCHANGE-REACTION IN THE ETHANE MOLECULE
    IOFFE, AI
    FAUSTOV, VI
    [J]. BULLETIN OF THE ACADEMY OF SCIENCES OF THE USSR DIVISION OF CHEMICAL SCIENCE, 1986, 35 (05): : 1023 - 1027
  • [9] Vibrational relaxation of H-2 (upsilon = 1, J = 1) on Pd(111)
    Gostein, M
    Watts, E
    Sitz, GO
    [J]. PHYSICAL REVIEW LETTERS, 1997, 79 (15) : 2891 - 2894
  • [10] KINETICS OF METHYLAMINE CONVERSION ON A PD CATALYST IN THE PRESENCE OF H-2
    MIGONE, RA
    MEITZNER, G
    MYKYTKA, WJ
    SINFELT, JH
    [J]. CATALYSIS LETTERS, 1995, 31 (01) : 27 - 35