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

被引：58

作者：

ANDZELM, J

SALAHUB, DR

机构：

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1986年 / 29卷 / 05期

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
ANDZELM, J
RADZIO, E
SALAHUB, DR
[J]. 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
ANDZELM, J
RADZIO, E
SALAHUB, DR
[J]. 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
BAGUS, PS
BAUSCHLICHER, CW
NELIN, CJ
LASKOWSKI, BC
SEEL, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) : 3594 - 3602
[5] BONDING OF CO TO METAL-SURFACES - A NEW INTERPRETATION
BAGUS, PS
NELIN, CJ
BAUSCHLICHER, CW
[J]. 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
BEHM, RJ
CHRISTMANN, K
ERTL, G
VANHOVE, MA
THIEL, PA
WEINBERG, WH
[J]. 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
BIBERIAN, JP
VANHOVE, MA
[J]. 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
BRADSHAW, AM
HOFFMANN, FM
[J]. SURFACE SCIENCE, 1978, 72 (03) : 513 - 535

← 1 2 3 4 →