XCN, X=AG, CU AND NI, A MODEL FOR CN ON A METAL-SURFACE

被引：39

作者：

BAUSCHLICHER, CW

机构：

来源：

SURFACE SCIENCE | 1985年 / 154卷 / 01期

关键词：

D O I：

10.1016/0039-6028(85)90352-8

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：70 / 78

页数：9

共 30 条

[1] BONDING AND PHOTOEMISSION OF CHEMISORBED MOLECULES - MOLECULAR-ORBITAL CLUSTER MODEL-THEORY [J].

BAGUS, PS ;

HERMANN, K ;

SEEL, M .

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY, 1981, 18 (02) :435-452

[2] BONDING OF CO TO METAL-SURFACES - A NEW INTERPRETATION [J].

BAGUS, PS ;

NELIN, CJ ;

BAUSCHLICHER, CW .

PHYSICAL REVIEW B, 1983, 28 (10) :5423-5438

[3] THE DISSOCIATION-ENERGY OF CU-2 - DO WE WANT TO PERFORM MULTI-REFERENCE SINGLES AND DOUBLES CIS ON MANY-ELECTRON SYSTEMS [J].

BAUSCHLICHER, CW .

CHEMICAL PHYSICS LETTERS, 1983, 97 (02) :204-208

[4]

BAUSCHLICHER CW, CHEM PHYS LETT

[5]

BAUSCHLICHER CW, J CHEM PHYS

[6]

BAUSCHLICHER CW, UNPUB

[7] SINGLET AND TRIPLET ENERGY SURFACES OF NIH2 [J].

BLOMBERG, MRA ;

SIEGBAHN, PEM .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (09) :5682-5692

[8] AN IMPORTANT BOUND SINGLET-STATE OF NIH2 [J].

BLOMBERG, MRA ;

SIEGBAHN, PEM .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (02) :986-987

[9] GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS - REPRESENTATION OF 3D ORBITALS IN TRANSITION-METAL ATOMS [J].

HAY, PJ .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (10) :4377-4384

[10]

HERMANN K, COMMUNICATION

← 1 2 3 →