CHEMISORPTION OF CO ON PD(100) - AN LCGTO-LSD CLUSTER STUDY

被引:58
作者
ANDZELM, J
SALAHUB, DR
机构
关键词
D O I
10.1002/qua.560290508
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:1091 / 1104
页数:14
相关论文
共 36 条
[1]   MODEL POTENTIAL CALCULATIONS FOR 2ND-ROW TRANSITION-METAL MOLECULES WITHIN THE LOCAL-SPIN-DENSITY METHOD [J].
ANDZELM, J ;
RADZIO, E ;
SALAHUB, DR .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (09) :4573-4580
[2]   COMPACT BASIS-SETS FOR LCAO-LSD CALCULATIONS .1. METHOD AND BASES FOR SC TO ZN [J].
ANDZELM, J ;
RADZIO, E ;
SALAHUB, DR .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1985, 6 (06) :520-532
[3]  
ANDZELM J, UNPUB
[4]   A PROPOSAL FOR THE PROPER USE OF PSEUDOPOTENTIALS IN MOLECULAR-ORBITAL CLUSTER MODEL STUDIES OF CHEMISORPTION [J].
BAGUS, PS ;
BAUSCHLICHER, CW ;
NELIN, CJ ;
LASKOWSKI, BC ;
SEEL, M .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3594-3602
[5]   BONDING OF CO TO METAL-SURFACES - A NEW INTERPRETATION [J].
BAGUS, PS ;
NELIN, CJ ;
BAUSCHLICHER, CW .
PHYSICAL REVIEW B, 1983, 28 (10) :5423-5438
[6]  
BAYKARA NA, INT J QUANTUM CHEM
[7]   STRUCTURE OF CO ADSORBED ON PD(100) - LEED AND HREELS ANALYSIS [J].
BEHM, RJ ;
CHRISTMANN, K ;
ERTL, G ;
VANHOVE, MA ;
THIEL, PA ;
WEINBERG, WH .
SURFACE SCIENCE, 1979, 88 (2-3) :L59-L66
[8]   A NEW MODEL FOR CO ORDERING AT HIGH COVERAGES ON LOW INDEX METAL-SURFACES - A CORRELATION BETWEEN LEED, HREELS AND IRS - I. CO ADSORBED ON FCC (100) SURFACES [J].
BIBERIAN, JP ;
VANHOVE, MA .
SURFACE SCIENCE, 1982, 118 (03) :443-464
[9]  
BOITIAUX JP, 1982, METAL SUPPORT METAL, P355
[10]   CHEMISORPTION OF CARBON-MONOXIDE ON PALLADIUM SINGLE-CRYSTAL SURFACES - IR SPECTROSCOPIC EVIDENCE FOR LOCALIZED SITE ADSORPTION [J].
BRADSHAW, AM ;
HOFFMANN, FM .
SURFACE SCIENCE, 1978, 72 (03) :513-535