CLUSTER MOLECULAR-ORBITAL STUDY OF THE CHEMISORPTION OF A WATER MOLECULE ON RUTHENIUM(001)

被引：13

作者：

KHANRA, BC ^{[1
]}

机构：

[1] FREE UNIV BERLIN,D-1000 BERLIN 33,FED REP GER

来源：

CHEMICAL PHYSICS LETTERS | 1981年 / 84卷 / 01期

关键词：

D O I：

10.1016/0009-2614(81)85379-1

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

收藏

页码：107 / 110

页数：4

相关论文

共 24 条

[1] VALENCE ORBITAL IONIZATION POTENTIALS FROM ATOMIC SPECTRAL DATA
BASCH, H
VISTE, A
GRAY, HB
[J]. THEORETICA CHIMICA ACTA, 1965, 3 (05): : 458 - &
[2] MOLECULAR ORBITAL APPROACH TO CHEMISORPTION .1. ATOMIC HYDROGEN ON GRAPHITE
BENNETT, AJ
MCCARROLL, B
MESSMER, RP
[J]. SURFACE SCIENCE, 1971, 24 (01) : 191 - +
[3] EXTENDED HUCKEL THEORY + MOLECULAR HARTREE-FOCK SCF THEORY
BOER, FP
NEWTON, MD
LIPSCOMB, WN
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1964, 52 (04) : 890 - &
[4] XPS AND UPS STUDIES OF ADSORPTION OF SMALL MOLECULES ON POLYCRYSTALLINE NI FILMS
BRUNDLE, CR
CARLEY, AF
[J]. FARADAY DISCUSSIONS, 1975, 60 : 51 - 70
[5] TIGHT-BINDING THEORY OF CHEMISORPTION - CO ON NI(100) AND (111)
BULLETT, DW
COHEN, ML
[J]. SOLID STATE COMMUNICATIONS, 1977, 21 (02) : 157 - 160
[6] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS
CLEMENTI, E
RAIMONDI, DL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) : 2686 - &
[7] SEMIEMPIRICAL MOLECULAR ORBITALS FOR GENERAL POLYATOMIC MOLECULES .2. 1-ELECTRON MODEL PREDICTION OF H-O-H ANGLE
CUSACHS, LC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) : S157 - +
[8] ISOELECTRONIC PRINCIPLE AND ACCURACY OF BINDING ENERGIES IN HUCKEL METHOD
GOODISMA.J
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (24) : 6552 - +
[9] Herman F., 1963, ATOMIC STRUCTURE CAL
[10] AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS
HOFFMANN, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) : 1397 - &