SCF-SW-X-ALPHA CALCULATIONS OF THE REMOVAL OF OXYGEN FROM OXIDE SURFACES BY VACANCY FORMATION AND CRYSTALLOGRAPHIC SHEAR MECHANISMS

被引:29
作者
BROCKLAWIK, E
HABER, J
机构
关键词
D O I
10.1016/0021-9517(81)90023-3
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 ;
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页码:379 / 382
页数:4
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共 10 条
[1]   SCF-SW-X-ALPHA STUDIES OF OCTAHEDRAL CLUSTERS IN MOLYBDENUM OXIDES .2. DOUBLE OCTAHEDRA [J].
BROCLAWIK, E ;
FOTI, AE ;
SMITH, VH .
JOURNAL OF CATALYSIS, 1981, 67 (01) :103-109
[2]  
BROCLAWIK E, 1981, J PHYS CHEM SOLIDS, V43, P203
[3]   INTERACTION OF ALLYL IODIDE WITH MOLYBDATE CATALYSTS FOR SELECTIVE OXIDATION OF HYDROCARBONS [J].
GRZYBOWSKA, B ;
HABER, J ;
JANAS, J .
JOURNAL OF CATALYSIS, 1977, 49 (02) :150-163
[4]   SELECTIVITY IN HETEROGENEOUS CATALYTIC-OXIDATION [J].
HABER, J .
PURE AND APPLIED CHEMISTRY, 1978, 50 (9-10) :923-940
[5]  
HABER J, 1980, 3RD INT C CHEM US MO, P114
[6]  
Johnson K. H., 1973, ADV QUANTUM CHEM, V7, P143
[7]  
Slater J.C., 1972, ADV QUANTUM CHEM, V6, P1, DOI [10.1016/S0065-3276(08)60541- 9, DOI 10.1016/S0065-3276(08)60541-9]
[8]   SELF-CONSISTENT-FIELD CHI ALPHA CLUSTER METHOD FOR POLYATOMIC-MOLECULES AND SOLIDS [J].
SLATER, JC ;
JOHNSON, KH .
PHYSICAL REVIEW B, 1972, 5 (03) :844-&
[9]   SIGNIFICANCE FOR OXIDE CATALYSIS OF ELECTRONIC PROPERTIES AND STRUCTURE [J].
STONE, FS .
JOURNAL OF SOLID STATE CHEMISTRY, 1975, 12 (3-4) :271-281
[10]   ANALYTIC HARTREE-FOCK SOLUTIONS FOR O-- [J].
WATSON, RE .
PHYSICAL REVIEW, 1958, 111 (04) :1108-1110