SIGMA-PI-CONTRIBUTIONS IN METAL-CO BOND - A THEORETICAL-STUDY OF RHCO AND PDCO

被引:59
作者
KOUTECKY, J [1 ]
PACCHIONI, G [1 ]
FANTUCCI, P [1 ]
机构
[1] UNIV MILANO,CTR CNR,DIPARTIMENTO CHIM INORGAN & MET ORGAN,I-20133 MILAN,ITALY
关键词
D O I
10.1016/0301-0104(85)80111-7
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:87 / 101
页数:15
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共 39 条
  • [1] ORIENTATION OF CO ADSORBED ON NI(100)
    ALLYN, CL
    GUSTAFSSON, T
    PLUMMER, EW
    [J]. CHEMICAL PHYSICS LETTERS, 1977, 47 (01) : 127 - 132
  • [2] STUDY OF CHARGE-TRANSFER IN BACK-BONDING TO CARBONYL AND NITROSYL GROUPS
    AVANZINO, SC
    BAKKE, AA
    CHEN, HW
    DONAHUE, CJ
    JOLLY, WL
    LEE, TH
    RICCO, AJ
    [J]. INORGANIC CHEMISTRY, 1980, 19 (07) : 1931 - 1936
  • [3] THE NATURE OF THE METAL CO INTERACTION AND BONDING
    BAGUS, PS
    NELIN, CJ
    BAUSCHLICHER, CW
    [J]. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1984, 2 (02): : 905 - 909
  • [4] ON THE NATURE OF THE BONDING OF LONE PAIR LIGANDS TO SMALL METAL-CLUSTERS
    BAGUS, PS
    HERMANN, K
    BAUSCHLICHER, CW
    [J]. BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1984, 88 (03): : 302 - 303
  • [5] SATELLITE STRUCTURE OF THE CORE LEVEL SPECTRUM OF CO ADSORBED ON NICKEL SURFACES - MODEL STUDIES
    BAGUS, PS
    HERMANN, K
    [J]. SURFACE SCIENCE, 1979, 89 (1-3) : 588 - 595
  • [6] BONDING AND BACK-BONDING IN NICO - A MCSCF STUDY
    BAGUS, PS
    ROOS, BO
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (12) : 5961 - 5962
  • [7] BONDING OF CO TO METAL-SURFACES - A NEW INTERPRETATION
    BAGUS, PS
    NELIN, CJ
    BAUSCHLICHER, CW
    [J]. PHYSICAL REVIEW B, 1983, 28 (10): : 5423 - 5438
  • [8] NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS .1. PSIBMOL ALGORITHM AND TEST CALCULATIONS
    BARTHELAT, JC
    DURAND, P
    SERAFINI, A
    [J]. MOLECULAR PHYSICS, 1977, 33 (01) : 159 - 180
  • [9] ELECTRONIC-STRUCTURE AND ORBITAL INTERACTIONS IN LINEAR PTCO
    BASCH, H
    COHEN, D
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (12) : 3856 - 3860
  • [10] THE METAL-CARBONYL BOND IN NI(CO)4 AND FE(CO)5 - A CLEAR-CUT ANALYSIS
    BAUSCHLICHER, CW
    BAGUS, PS
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (12) : 5889 - 5898