FIRST PRINCIPLES INVESTIGATION OF QUINIZARIN CHEMISORBED ON ALPHA-AL2O3

被引:10
作者
FRANK, I
MARX, D
PARRINELLO, M
机构
[1] MAX PLANCK INST FESTKORPERFORSCH,D-70569 STUTTGART,GERMANY
[2] UNIV BONN,INST PHYS & THEORET CHEM,D-53115 BONN,GERMANY
关键词
D O I
10.1021/ja00135a031
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
[No abstract available]
引用
收藏
页码:8037 / 8038
页数:2
相关论文
共 29 条
[1]   HIGH-TEMPERATURE PERSISTENT SPECTRAL HOLE BURNING OF QUINIZARIN ADSORBED ON GAMMA-ALUMINA POWDER [J].
BASCHE, T ;
BRAUCHLE, C .
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (19) :7130-7131
[2]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[3]  
BRAUCHLE C, 1992, ANGEW CHEM, V104, P431
[4]   UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY [J].
CAR, R ;
PARRINELLO, M .
PHYSICAL REVIEW LETTERS, 1985, 55 (22) :2471-2474
[5]  
CASTRO G, 1978, Patent No. 4101976
[6]   GENERAL-METHODS FOR GEOMETRY AND WAVE-FUNCTION OPTIMIZATION [J].
FISCHER, TH ;
ALMLOF, J .
JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (24) :9768-9774
[7]  
FRANK I, IN PRESS J CHEM PHYS
[8]  
Friedrich J., 1984, ANGEW CHEM, V96, P96
[9]  
FRNAK I, UNPUB J CHEM PHYS
[10]  
GALLI G, 1991, COMPUTER SIMULATIONS