A CONCISE REPRESENTATION OF ADSORBATE-SURFACE INTERACTIONS .1. FORMULATION AND MODEL CALCULATION FOR ADSORPTION OF CO ON CU(100) SURFACE

被引：8

作者：

KOBAYASHI, H

YAMAGUCHI, M

YOSHIDA, S

KATO, H

机构：

[1] KYOTO UNIV,FAC ENGN,KYOTO 606,JAPAN

[2] NAGOYA UNIV,FAC GEN EDUC,NAGOYA,AICHI 464,JAPAN

来源：

THEORETICA CHIMICA ACTA | 1982年 / 61卷 / 05期

关键词：

D O I：

10.1007/BF00549037

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

页码：461 / 472

页数：12

共 16 条

[1] CNDO CALCULATIONS OF NICKEL ATOM CLUSTERS [J].

BLYHOLDER, G .

SURFACE SCIENCE, 1974, 42 (01) :249-260

[2] BRIDGE AND ON-TOP IN CHEMISORPTION - BOND LENGTH AND ELECTRONIC-STRUCTURE [J].

BRODEN, G ;

PIRUG, G ;

BONZEL, HP .

CHEMICAL PHYSICS LETTERS, 1977, 51 (02) :250-253

[3] LOCALIZED ATOMIC AND MOLECULAR ORBITALS [J].

EDMISTON, C ;

RUEDENBERG, K .

REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :457-&

[4]

FUJIMOTO H, 1981, TETRAHEDRON LETT, V22, P1263, DOI 10.1016/S0040-4039(01)90291-6

[5] INTERACTION FRONTIER ORBITALS [J].

FUKUI, K ;

KOGA, N ;

FUJIMOTO, H .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (01) :196-197

[6] A MODEL CALCULATION ON ADSORPTION OF CO ON THE FLAT, STEPPED AND KINKED NICKEL SURFACES [J].

KOBAYASHI, H ;

YOSHIDA, S ;

YAMAGUCHI, M .

SURFACE SCIENCE, 1981, 107 (01) :321-336

[7]

KOBAYASHI H, 1980, SURF SCI, V97, P329, DOI 10.1016/0039-6028(80)90671-8

[8] THEORETICAL STUDIES OF HYDROGEN MOLECULE ADSORPTION ON FLAT AND STEPPED PLATINUM SURFACES [J].

KOBAYASHI, H ;

YOSHIDA, S ;

KATO, H ;

FUKUI, K ;

TARAMA, K .

SURFACE SCIENCE, 1979, 79 (01) :189-204

[9]

Kobayashi H., UNPUB

[10] MOLECULAR-ORBITAL APPROACH TO CHEMISORPTION .4. LCAO BAND STRUCTURES AND MOLECULAR UNIT CELL [J].

MESSMER, RP ;

MCCARROLL, B ;

SINGAL, CM .

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY, 1972, 9 (02) :891-+

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