CHEMISORPTION OF O AND O-2 ON AG(110) - AN LCGTO-LSD CLUSTER STUDY

被引:30
作者
SELMANI, A [1 ]
ANDZELM, J [1 ]
SALAHUB, DR [1 ]
机构
[1] UNIV MONTREAL,DEPT CHIM,MONTREAL H3C 3J7,QUEBEC,CANADA
关键词
D O I
10.1002/qua.560290421
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:829 / 842
页数:14
相关论文
共 44 条
[1]   MODEL POTENTIAL CALCULATIONS FOR 2ND-ROW TRANSITION-METAL MOLECULES WITHIN THE LOCAL-SPIN-DENSITY METHOD [J].
ANDZELM, J ;
RADZIO, E ;
SALAHUB, DR .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (09) :4573-4580
[2]  
ANDZELM J, UNPUB
[3]  
ANDZELM J, J COMPUT CHEM
[4]   ADSORPTION OF OXYGEN ON AG(110) STUDIED BY HIGH-RESOLUTION ELS AND TPD [J].
BACKX, C ;
DEGROOT, CPM ;
BILOEN, P .
SURFACE SCIENCE, 1981, 104 (01) :300-317
[5]   THE ADSORPTION OF OXYGEN ON AG(110) - A NEW VIEW OF STRUCTURE AND BONDING [J].
BANGE, K ;
MADEY, TE ;
SASS, JK .
CHEMICAL PHYSICS LETTERS, 1985, 113 (01) :56-62
[6]   AN EXAMINATION OF ADSORBED OXYGEN MOLECULES ON AG(110) BY UPS [J].
BARTEAU, MA ;
MADIX, RJ .
CHEMICAL PHYSICS LETTERS, 1983, 97 (01) :85-88
[7]   THE ADSORPTION OF MOLECULAR-OXYGEN SPECIES ON AG(110) [J].
BARTEAU, MA ;
MADIX, RJ .
SURFACE SCIENCE, 1980, 97 (01) :101-110
[8]   LCAO LOCAL-SPIN-DENSITY AND X-ALPHA CALCULATIONS FOR CR-2 AND MO-2 [J].
BAYKARA, NA ;
MCMASTER, BN ;
SALAHUB, DR .
MOLECULAR PHYSICS, 1984, 52 (04) :891-905
[9]  
BAYKARA NA, UNPUB
[10]   MODEL STUDIES OF ETHYLENE EPOXIDATION CATALYZED BY THE AG(110) SURFACE [J].
CAMPBELL, CT ;
PAFFETT, MT .
SURFACE SCIENCE, 1984, 139 (2-3) :396-416