THE THEORETICAL APPROACH TO SURFACE-CHEMISTRY AND HETEROGENEOUS CATALYSIS

被引:10
作者
SIMONETTA, M [1 ]
机构
[1] CNR CTR,I-20133 MILANO,ITALY
关键词
D O I
10.1002/qua.560290545
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:1555 / 1560
页数:6
相关论文
共 44 条
[1]  
ALBRIGHT TA, 1984, ORBITAL INTERACTIONS
[2]   MOLECULAR-ORBITAL INVESTIGATION OF CHEMISORPTION .1. HYDROGEN ON TUNGSTEN (100) SURFACE [J].
ANDERS, LW ;
HANSEN, RS ;
BARTELL, LS .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (10) :5277-5287
[3]  
ANDERS LW, 1975, J CHEM PHYS, V62, P1642
[4]   MOLECULAR-ORBITAL STUDIES OF DISSOCIATIVE CHEMISORPTION OF FIRST PERIOD DIATOMIC-MOLECULES AND ETHYLENE ON (100) W AND NI SURFACES [J].
ANDERSON, AB ;
HOFFMANN, R .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (11) :4545-4559
[5]  
ANDZELM J, 1985, 5TH INT C QUANT CHEM
[6]   NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS .1. PSIBMOL ALGORITHM AND TEST CALCULATIONS [J].
BARTHELAT, JC ;
DURAND, P ;
SERAFINI, A .
MOLECULAR PHYSICS, 1977, 33 (01) :159-180
[7]   EXTENDED HUCKEL STUDY OF THE METALLIC GROWTH OF SMALL PLATINUM CLUSTERS - STRUCTURE AND ENERGETICS [J].
BIGOT, B ;
MINOT, C .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (22) :6601-6615
[8]   INDIVIDUALIZED CONFIGURATION SELECTION IN CI CALCULATIONS WITH SUBSEQUENT ENERGY EXTRAPOLATION [J].
BUENKER, RJ ;
PEYERIMH.SD .
THEORETICA CHIMICA ACTA, 1974, 35 (01) :33-58
[9]   APPLICABILITY OF MULTI-REFERENCE DOUBLE-EXCITATION CI (MRD-CI) METHOD TO CALCULATION OF ELECTRONIC WAVEFUNCTIONS AND COMPARISON WITH RELATED TECHNIQUES [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
BUTSCHER, W .
MOLECULAR PHYSICS, 1978, 35 (03) :771-791
[10]  
BURKEST U, 1978, ACS MONOGRAPH, V177