A METHOD FOR MOLEUCLAR ORBITAL CALCULATIONS FOR METAL COMPLEXES

被引:90
作者
FENSKE, RF
CAULTON, KG
RADTKE, DD
SWEENEY, CC
机构
关键词
D O I
10.1021/ic50040a001
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
引用
收藏
页码:951 / &
相关论文
共 23 条
[1]  
ALLEN EE, 1956, MATH TABLES AIDS COM, V10, P162, DOI DOI 10.1090/S0025-5718-1956-0080774-4
[2]  
BALLHAUSEN CJ, 1962, INTRO LIGAND FIELD T, P57
[3]   MOLECULAR ORBITAL TREATMENT OF SPECTRUM OF HEXAFLUOROTITANIUM(3) ANION [J].
BEDON, HD ;
TYREE, SY ;
HORNER, SM .
INORGANIC CHEMISTRY, 1964, 3 (05) :647-&
[4]   A MOLECULAR ORBITAL TREATMENT OF HEXAFLUOROVANADATE(4) AND HEXAFLUOROVANADATE(3) IONS [J].
BEDON, HD ;
HATFIELD, WE ;
HORNER, SM ;
TYREE, SY .
INORGANIC CHEMISTRY, 1965, 4 (05) :743-&
[5]   SCF-MO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE MOLECULE [J].
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (01) :33-&
[6]   SEMIEMPIRICAL MOLECULAR ORBITAL THEORY FOR TRANSITION METAL COMPLEXES [J].
FENSKE, RF .
INORGANIC CHEMISTRY, 1965, 4 (01) :33-&
[7]   SEMIEMPIRICAL MOLECULAR ORBITAL THEORY .1. PERMANGANATE + RELATED ANIONS [J].
FENSKE, RF ;
SWEENEY, CC .
INORGANIC CHEMISTRY, 1964, 3 (08) :1105-&
[8]   FORMULAS AND NUMERICAL TABLES FOR OVERLAP INTEGRALS [J].
MULLIKEN, RS ;
RIEKE, CA ;
ORLOFF, D ;
ORLOFF, H .
JOURNAL OF CHEMICAL PHYSICS, 1949, 17 (12) :1248-1267