CHARGING AND HYBRIDIZATION IN THE FINITE CLUSTER MODEL

被引：13

作者：

BAUSCHLICHER, CW

BAGUS, PS

NELIN, CJ

机构：

[1] IBM CORP,RES LAB,SAN JOSE,CA 95193

[2] POLYATOM RES INST,MT VIEW,CA 94043

来源：

CHEMICAL PHYSICS LETTERS | 1983年 / 98卷 / 05期

关键词：

D O I：

10.1016/0009-2614(83)80083-9

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：439 / 443

页数：5

共 8 条

[1]

BAGUS PS, UNPUB J ELECTRON SPE

[2]

BAGUS PS, UNPUB J CHEM PHYS

[3] MODEL STUDY IN CHEMISORPTION - MOLECULAR-ORBITAL CLUSTER THEORY FOR ATOMIC-HYDROGEN ON BE(0001) [J].

BAUSCHLICHER, CW ;

BAGUS, PS ;

SCHAEFER, HF .

IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1978, 22 (03) :213-234

[4] ON HYBRIDIZATION AND BONDING IN THE ALKALINE-EARTHS - BE, MG, AND CA [J].

BAUSCHLICHER, CW ;

BAGUS, PS ;

COX, BN .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (08) :4032-4038

[5] A CLUSTER MODEL OF THE CHEMISORPTION OF ATOMIC LI, O AND NA BY THE (111) SURFACE OF AL [J].

COX, BN ;

BAUSCHLICHER, CW .

SURFACE SCIENCE, 1982, 115 (01) :15-36

[6]

Donohue J., 1974, STRUCTURE ELEMENTS

[7] CONTRACTED GAUSSIAN-BASIS SETS FOR MOLECULAR CALCULATIONS .1. 2ND ROW ATOMS, Z=11-18 [J].

MCLEAN, AD ;

CHANDLER, GS .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (10) :5639-5648

[8] CAUSSIAN BASIS SETS FOR FIRST AND SECOND ROW ATOMS [J].

ROOS, B ;

SIEGBAHN, P .

THEORETICA CHIMICA ACTA, 1970, 17 (03) :209-&

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