THEORETICAL-STUDY ON THE CHEMISORPTION OF A HYDROGEN MOLECULE ON PALLADIUM

被引:66
作者
NAKATSUJI, H
HADA, M
YONEZAWA, T
机构
关键词
D O I
10.1021/ja00241a003
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1902 / 1912
页数:11
相关论文
共 82 条
[1]   ELECTRONIC STRUCTURE OF FCC TRANSITION METALS IR, RH, PT, AND PD [J].
ANDERSEN, OK .
PHYSICAL REVIEW B, 1970, 2 (04) :883-&
[2]  
BAGATURYANTS AA, 1981, J PHYS CHEM, V55, P1157
[3]   ELECTRONIC-STRUCTURE OF TRANSITION-METAL HYDRIDES - NIH AND PDH [J].
BAGUS, PS ;
BJORKMAN, C .
PHYSICAL REVIEW A, 1981, 23 (02) :461-472
[4]  
BASCH H, 1980, ISRAEL J CHEM, V19, P233
[5]   RELATIVISTIC EFFECTS IN ABINITIO EFFECTIVE CORE POTENTIAL STUDIES OF HEAVY-METAL COMPOUNDS - APPLICATION TO HGCL2, AUCL, AND PTH [J].
BASCH, H ;
TOPIOL, S .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (02) :802-814
[6]  
BAYKARA NA, IN PRESS INT J QUANT
[7]   ADSORPTION OF HYDROGEN ON PD(100) [J].
BEHM, RJ ;
CHRISTMANN, K ;
ERTL, G .
SURFACE SCIENCE, 1980, 99 (02) :320-340
[8]   SINGLET AND TRIPLET ENERGY SURFACES OF NIH2 [J].
BLOMBERG, MRA ;
SIEGBAHN, PEM .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (09) :5682-5692
[9]   AN IMPORTANT BOUND SINGLET-STATE OF NIH2 [J].
BLOMBERG, MRA ;
SIEGBAHN, PEM .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (02) :986-987
[10]  
Bond GC, 1962, CATALYSIS METALS