AN SCF MS X-ALPHA-STUDY OF A SERIES OF D1 TRANSITION-METAL OXOHALO COMPLEXES

被引:51
作者
SUNIL, KK
HARRISON, JF
ROGERS, MT
机构
关键词
D O I
10.1063/1.443349
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:3087 / 3097
页数:11
相关论文
共 50 条
[1]   HALIDE AND OXYHALIDE COMPLEXES OF MOLYBDENUM AND TUNGSTEN [J].
ALLEN, EA ;
WILLIAMS, RG ;
EDWARDS, DA ;
BRISDON, BJ ;
FOWLES, GWA .
JOURNAL OF THE CHEMICAL SOCIETY, 1963, (OCT) :4649-&
[2]  
ATOVMYAN LO, 1970, ZH STRUKT KHIM, V11, P782
[3]  
BALLHAUSEN CJ, 1962, INORG CHEM, V1, P831
[4]   STRUCTURE IN ELECTRONIC SPECTRA OF VANADYL ACETYLACETONATE [J].
BASU, G ;
BELFORD, RL ;
YERANOS, W .
INORGANIC CHEMISTRY, 1964, 3 (06) :929-&
[5]   XALPHA MULTIPLE-SCATTERING CALCULATIONS ON COPPER PORPHINE [J].
CASE, DA ;
KARPLUS, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (19) :6182-6194
[6]   BINDING OF OXYGEN AND CARBON-MONOXIDE TO HEMOGLOBIN - ANALYSIS OF THE GROUND AND EXCITED-STATES [J].
CASE, DA ;
HUYNH, BH ;
KARPLUS, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (16) :4433-4453
[7]   CALCULATION OF ONE-ELECTRON PROPERTIES FROM X-ALPHA MULTIPLE-SCATTERING WAVEFUNCTIONS [J].
CASE, DA ;
KARPLUS, M .
CHEMICAL PHYSICS LETTERS, 1976, 39 (01) :33-38
[8]  
CASE DE, COMMUNICATION
[9]  
CONNOLLY JWD, 1977, MODERN THEORETICAL C, V1
[10]   CALCULATION OF ONE-ELECTRON PROPERTIES OF LIH FROM X-ALPHA MULTIPLE-SCATTERING WAVE-FUNCTIONS [J].
COOK, M ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :7-19