SCF-XALPHA-SW MODEL CALCULATIONS FOR METAL CLUSTERS OF NICKEL, COPPER, AND SILVER AND FOR OXYGEN CHEMISORPTION ON THESE METALS

被引:108
作者
ROSCH, N
MENZEL, D
机构
[1] TECH UNIV MUNCHEN, LEHRSTUHL THEORET CHEM, D-8000 MUNCHEN 2, BUNDES REPUBLIK
[2] TECH UNIV MUNCHEN, DEPT PHYS, D-8046 GARCHING, BUNDES REPUBLIK
关键词
D O I
10.1016/0301-0104(76)80007-9
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:243 / 256
页数:14
相关论文
共 55 条
[1]  
ATKINSON SJ, 1974, FARADAY DISCUSS, V58, P62
[2]   INTERPRETATION OF PHOTOEMISSION SPECTRUM OF CHEMISORBED CARBON-MONOXIDE ON NI (100) [J].
BATRA, IP ;
BAGUS, PS .
SOLID STATE COMMUNICATIONS, 1975, 16 (09) :1097-1100
[3]   CLUSTER MODEL CALCULATIONS FOR ELECTRONIC-ENERGY LEVELS OF OXYGEN CHEMISORBED ON NI [J].
BATRA, IP ;
ROBAUX, O .
SURFACE SCIENCE, 1975, 49 (02) :653-656
[4]   CALCULATION OF ELECTRONIC-STRUCTURE OF FORMALDEHYDE USING OVERLAPPING SPHERES IN SCF X-ALPHA SCATTERED-WAVE METHOD [J].
BATRA, IP ;
ROBAUX, O .
CHEMICAL PHYSICS LETTERS, 1974, 28 (04) :529-531
[5]   ELECTRONIC-ENERGY LEVEL STRUCTURE CALCULATIONS OF CHEMISORBED CO ON NI (100) [J].
BATRA, IP ;
ROBAUX, O .
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY, 1975, 12 (01) :242-245
[6]  
BRADSHAW AM, 1974, FARADAY DISCUSS, P46
[7]   THE CALORIMETRIC DETERMINATION OF THE HEATS OF ADSORPTION OF OXYGEN ON EVAPORATED METAL FILMS [J].
BRENNAN, D ;
HAYWARD, DO ;
TRAPNELL, BMW .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1960, 256 (1284) :81-105
[8]   AN APW CALCULATION FOR SILVER [J].
CHRISTENSEN, NE .
PHYSICA STATUS SOLIDI, 1969, 31 (02) :635-+
[9]   ENERGY BANDS IN FERROMAGNETIC NICKEL [J].
CONNOLLY, JW .
PHYSICAL REVIEW, 1967, 159 (02) :415-&
[10]  
CONRAD H, 1974, FARADAY DISCUSS, P116