DFT and MO calculations of atomic and molecular chemisorption energies on surface cluster models

被引:0
|
作者
Triguero, L.
Wahigren, U.
Pettersson, L. G. M.
Siegbahn, P.
机构
来源
Theoretica Chimica Acta | / 94卷 / 05期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [1] DFT and MO calculations of atomic and molecular chemisorption energies on surface cluster models
    Triguero, L
    Wahlgren, U
    Pettersson, LGM
    Siegbahn, P
    THEORETICA CHIMICA ACTA, 1996, 94 (05): : 297 - 310
  • [2] MOLECULAR CLUSTER CALCULATIONS FOR THE ANALYSIS OF CO CHEMISORPTION ON THE RH(110) SURFACE
    CAO, PL
    WU, Y
    CHEN, YQ
    ZHENG, DJ
    APPLICATIONS OF SURFACE SCIENCE, 1985, 22-3 (MAY): : 452 - 458
  • [3] MOLECULAR CLUSTER CALCULATIONS FOR THE INTERPRETATION OF CO CHEMISORPTION ON A NI(100) SURFACE
    ROSEN, A
    BAERENDS, EJ
    ELLIS, DE
    SURFACE SCIENCE, 1979, 82 (01) : 139 - 164
  • [4] MOLECULAR-ORBITAL CALCULATIONS OF ATOMIC-HYDROGEN CHEMISORPTION ON THE BERYLLIUM (0001) SURFACE
    HOFLUND, GB
    MERRILL, RP
    JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (14): : 2037 - 2041
  • [6] CRYSTAL BINDING-ENERGIES FROM ATOMIC-CLUSTER CALCULATIONS
    YANG, JL
    WANG, KL
    CASULA, F
    MULA, G
    PHYSICAL REVIEW B, 1993, 47 (07): : 4025 - 4028
  • [7] TERNARY COMPOUNDS BINDING-ENERGIES FROM ATOMIC CLUSTER CALCULATIONS
    CASULA, F
    MULA, G
    PIRODDA, M
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 1993, 32 : 261 - 262
  • [8] STUDIES ON“CLUSTER-SURFACE ANALOGY”—CLUSTER MODEL CALCULATIONS FOR CO/Pd CHEMISORPTION SYSTEM
    XU Xin WANG Nan-QinCHEH Ming-Dan ZHANG Qian-ErState Key Laboratory for Physical Chemistry in Sur face Science Department of Chemistry
    Journal of Natural Gas Chemistry , 1994, (03) : 231 - 243
  • [9] MOLECULAR CLUSTER CALCULATION FOR HYDROGEN CHEMISORPTION ON NI(100) SURFACE
    TANABE, T
    ADACHI, H
    IMOTO, S
    JAPANESE JOURNAL OF APPLIED PHYSICS, 1976, 15 (09) : 1805 - 1806
  • [10] MOLECULAR CLUSTER THEORY OF CO CHEMISORPTION ON A NICKEL(100) SURFACE
    ELLIS, DE
    BAERENDS, EJ
    ADACHI, H
    AVERILL, FW
    SURFACE SCIENCE, 1977, 64 (02) : 649 - 667