A NEW ANALYSIS OF CHARGE-TRANSFER AND POLARIZATION FOR LIGAND-METAL BONDING - MODEL STUDIES OF AL4CO AND AL4NH3

被引:520
作者
BAGUS, PS [1 ]
HERMANN, K [1 ]
BAUSCHLICHER, CW [1 ]
机构
[1] NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
关键词
D O I
10.1063/1.447215
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:4378 / 4386
页数:9
相关论文
共 31 条
[1]   ORIENTATION OF CO ADSORBED ON NI(100) [J].
ALLYN, CL ;
GUSTAFSSON, T ;
PLUMMER, EW .
CHEMICAL PHYSICS LETTERS, 1977, 47 (01) :127-132
[2]   STRUCTURE OF CO ADSORBED ON CU(100) AND NI(100) [J].
ANDERSSON, S ;
PENDRY, JB .
PHYSICAL REVIEW LETTERS, 1979, 43 (05) :363-366
[3]  
Bagus P. S., UNPUB
[4]   BONDING AND BACK-BONDING IN NICO - A MCSCF STUDY [J].
BAGUS, PS ;
ROOS, BO .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (12) :5961-5962
[5]   BONDING OF CO TO METAL-SURFACES - A NEW INTERPRETATION [J].
BAGUS, PS ;
NELIN, CJ ;
BAUSCHLICHER, CW .
PHYSICAL REVIEW B, 1983, 28 (10) :5423-5438
[6]  
BAGUS PS, UNPUB J VAC SCI TE A, V2
[7]  
BAGUS PS, UNPUB J CHEM PHYS
[8]  
BAGUS PS, 1976, COMPUT CHEM, V1, P95
[9]  
BASUS PS, 1981, J VAC SCI TECHNOL, V18, P435
[10]   MODEL STUDY IN CHEMISORPTION - MOLECULAR-ORBITAL CLUSTER THEORY FOR ATOMIC-HYDROGEN ON BE(0001) [J].
BAUSCHLICHER, CW ;
BAGUS, PS ;
SCHAEFER, HF .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1978, 22 (03) :213-234