THEORETICAL STUDIES OF BONDING OF OXYGEN TO MODELS OF (100) SURFACE OF NICKEL

被引:25
作者
WALCH, SP
GODDARD, WA
机构
关键词
D O I
10.1016/0039-6028(78)90182-6
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:609 / 634
页数:26
相关论文
共 25 条
[1]   CLUSTER MODEL CALCULATIONS FOR ELECTRONIC-ENERGY LEVELS OF OXYGEN CHEMISORBED ON NI [J].
BATRA, IP ;
ROBAUX, O .
SURFACE SCIENCE, 1975, 49 (02) :653-656
[2]   TOTAL ENERGY IN MULTIPLE-SCATTERING FORMALISM - APPLICATION TO WATER MOLECULE [J].
CONNOLLY, JW ;
SABIN, JR .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) :5529-&
[3]  
CONNOLLY JWD, 1977, MODERN THEORETICAL A, V7, P105
[4]  
DANESE JB, 1977, CHEM PHYS LETT, V45, P150, DOI 10.1016/0009-2614(77)85231-7
[5]   CHEMISORPTION BONDING OF C(2 BY 2) CHALCOGEN OVERLAYERS ON NI(001) [J].
DEMUTH, JE ;
JEPSEN, DW ;
MARCUS, PM .
PHYSICAL REVIEW LETTERS, 1973, 31 (08) :540-542
[6]  
DEMUTH JE, 1977, J COLLOID INTERFACE, V58, P185
[7]  
Dunning T. H. J., 1977, MODERN THEORETICAL C, P1, DOI DOI 10.1007/978-1-4757-0887-5_1
[9]   MOLECULAR CLUSTER THEORY FOR CHEMISORPTION OF 1ST ROW ATOMS ON NICKEL (100) SURFACES [J].
ELLIS, DE ;
ADACHI, H ;
AVERILL, FW .
SURFACE SCIENCE, 1976, 58 (02) :497-510
[10]   GENERALIZED VALENCE BOND DESCRIPTION OF BONDING IN LOW-LYING STATES OF MOLECULES [J].
GODDARD, WA ;
DUNNING, TH ;
HUNT, WJ ;
HAY, PJ .
ACCOUNTS OF CHEMICAL RESEARCH, 1973, 6 (11) :368-376