MODEL HAMILTONIANS IN THE STUDY OF CHEMISORPTION AND CATALYSIS

被引:28
作者
ABBATE, G
BARONE, V
LELJ, F
IACONIS, E
RUSSO, N
机构
[1] DIPARTIMENTO CHIM,I-80134 NAPOLI,ITALY
[2] UNIV CALABRIA,DIPARTIMENTO CHIM,I-87030 ARCAVACATA RENDE,ITALY
关键词
D O I
10.1016/0039-6028(85)90477-7
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:690 / 701
页数:12
相关论文
共 41 条
[21]  
FREED KF, 1977, MODERN THEORETICAL C, V7, P201
[22]   SURFACE STRUCTURES AND PROPERTIES OF DIAMOND-STRUCTURE SEMICONDUCTORS [J].
HANEMAN, D .
PHYSICAL REVIEW, 1961, 121 (04) :1093-&
[23]   LOCALIZED MODEL FOR HYDROGEN CHEMISORPTION ON THE SILICON (111) SURFACE [J].
HERMANN, K ;
BAGUS, PS .
PHYSICAL REVIEW B, 1979, 20 (04) :1603-1610
[24]   MOLECULAR-ORBITAL CALCULATIONS OF ATOMIC-HYDROGEN CHEMISORPTION ON THE BERYLLIUM (0001) SURFACE [J].
HOFLUND, GB ;
MERRILL, RP .
JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (14) :2037-2041
[25]   THEORETICAL-STUDY OF DISTORTIONS INDUCED BY FINITE SIZE IN REGULAR CLUSTERS [J].
JULG, A ;
DELRE, G ;
BARONE, V .
PHILOSOPHICAL MAGAZINE, 1977, 35 (03) :517-531
[26]   ABINITIO CALCULATIONS ON HYDROGEN-BOUNDED SILICON CLUSTERS [J].
KENTON, AC ;
RIBARSKY, MW .
PHYSICAL REVIEW B, 1981, 23 (06) :2897-2910
[27]   ABINITIO CALCULATIONS OF THE PI-HAMILTONIAN OF TRANS-BUTADIENE INCLUDING ELECTRON CORRELATIONS [J].
LEE, YS ;
FREED, KF .
CHEMICAL PHYSICS LETTERS, 1983, 94 (02) :202-204
[28]  
LIN HPD, 1969, J CHEM PHYS, V53, P735
[30]   LOW-ENERGY ELECTRON DIFFRACTION STUDIES OF (100) AND (111) SURFACES OF SEMICONDUCTING DIAMOND [J].
MARSH, JB ;
FARNSWORTH, HE .
SURFACE SCIENCE, 1964, 1 (01) :3-21