MODEL HAMILTONIAN APPROACH TO CHEMISORPTION - TREATMENT OF DIFFUSE VIRTUAL ADORBITALS

被引：20

作者：

DRAKOVA, D

DOYEN, G

HUBNER, R

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 89卷 / 03期

关键词：

D O I：

10.1063/1.455118

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：1725 / 1740

页数：16

共 60 条

[1]

Arlinghaus F. J., 1980, Theory of chemisorption, P71

[2] XPS AND UPS STUDY OF INTERACTION OF OXYGEN WITH SODIUM-DOSED AG(110) [J].

BRIGGS, D ;

MARBROW, RA ;

LAMBERT, RM .

SURFACE SCIENCE, 1977, 65 (01) :314-324

[3]

CLEMENTI E, 1974, AT DATA NUCL DATA TA, V14

[4]

CONRAD H, COMMUNICATION

[5]

Dewar M.J.S., 1969, MOL ORBITAL THEORY O

[6] SEMI-EMPIRICAL THEORY OF CHEMISORPTION ON NARROW D-BAND METALS [J].

DOYEN, G ;

ERTL, G .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (12) :5417-5434

[7] SEMIEMPIRICAL MODEL CALCULATIONS FOR CHEMISORPTION ON TRANSITION-METALS .2. DESCRIPTION OF THEORETICAL FORMALISM OF AN EXTENDED BASIS SET [J].

DOYEN, G ;

ERTL, G .

SURFACE SCIENCE, 1977, 65 (02) :641-667

[8]

DOYEN G, 1976, SURF SCI, V59, P461, DOI 10.1016/0039-6028(76)90029-7

[9] SURFACE-MOLECULE APPROACH TO THE ADSORBATE DERIVED IONIZATION ENERGIES FOR PF3 AND CO ADSORBED ON TRANSITION-METAL SURFACES [J].

DOYEN, G .

SURFACE SCIENCE, 1982, 122 (03) :505-518

[10] SEMIEMPIRICAL MODEL CALCULATIONS FOR CHEMISORPTION ON TRANSITION-METALS .3. CO, N2 AND NO ON NI, CU, PD AND AG [J].

DOYEN, G ;

ERTL, G .

SURFACE SCIENCE, 1977, 69 (01) :157-184

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