THE COVERAGE-DEPENDENT EFFECT ON THE BARRIER FOR OXYGEN PENETRATION INTO A METAL LATTICE

被引：5

作者：

BAUSCHLICHER, CW

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1985年 / 118卷 / 06期

关键词：

D O I：

10.1016/0009-2614(85)85350-1

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：544 / 546

页数：3

共 15 条

[1] PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO ABINITIO CALCULATIONS [J].

ALMLOF, J ;

FAEGRI, K ;

KORSELL, K .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (03) :385-399

[2] ADSORBATE VIBRATIONAL ENERGIES - RELATION BETWEEN EXPERIMENTS AND RIGID-LATTICE CALCULATIONS [J].

ANDERSSON, S ;

KARLSSON, PA ;

PERSSON, M .

PHYSICAL REVIEW LETTERS, 1983, 51 (26) :2378-2381

[3] 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

[4] EVIDENCE FOR 2 STATES OF CHEMISORBED OXYGEN ON NI(100) - COMMENT [J].

BAUSCHLICHER, CW ;

WALCH, SP ;

BAGUS, PS ;

BRUNDLE, CR .

PHYSICAL REVIEW LETTERS, 1983, 50 (11) :864-864

[5] ORIGIN OF THE COVERAGE-DEPENDENT VIBRATIONAL SHIFT FOR O ON NI(100) [J].

BAUSCHLICHER, CW ;

BAGUS, PS .

PHYSICAL REVIEW LETTERS, 1984, 52 (03) :200-203

[6]

BAUSCHLICHER CW, UNPUB

[7] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].

CLEMENTI, E ;

RAIMONDI, DL .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&

[8] OXYGEN-CHEMISORPTION AND CUPROUS-OXIDE FORMATION ON CU(111) - A HIGH-RESOLUTION EELS STUDY [J].

DUBOIS, LH .

SURFACE SCIENCE, 1982, 119 (2-3) :399-410

[9]

Dunning T.H., 1977, METHODS ELECT STRUCT, DOI DOI 10.1007/978-1-4757-0887-5_1

[10] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

← 1 2 →