COMPLETE MULTI-ZETA ELECTRIC DIPOLE-MOMENT MATRIX OF PI-(C6H6) CR(CO)3 AND TESTS OF SEMIEMPIRICAL MO MODELS

被引:6
作者
HAUSER, PJ [1 ]
EVANS, RS [1 ]
SCHREINER, AF [1 ]
机构
[1] N CAROLINA STATE UNIV, DEPT CHEM, RALEIGH, NC 27607 USA
来源
THEORETICA CHIMICA ACTA | 1973年 / 32卷 / 01期
关键词
D O I
10.1007/BF01209420
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:87 / 91
页数:5
相关论文
共 14 条
[1]   3-DIMENSIONAL CRYSTAL STRUCTURE OF BENZENECHROMIUM TRICARBONYL WITH FURTHER COMMENTS ON DIBENZENECHROMIUM STRUCTURE [J].
BAILEY, MF ;
DAHL, LF .
INORGANIC CHEMISTRY, 1965, 4 (09) :1314-&
[2]  
Ballhausen C. J., 1965, MOLECULAR ORBITAL TH
[3]   VALENCE ORBITAL IONIZATION POTENTIALS FROM ATOMIC SPECTRAL DATA [J].
BASCH, H ;
VISTE, A ;
GRAY, HB .
THEORETICA CHIMICA ACTA, 1965, 3 (05) :458-&
[4]  
BROWN DA, 1969, J CHEM SOC A, P941
[5]   SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS .V. ELECTRONIC STRUCTURE OF ARENECHROMIUM TRICARBONYLS AND CHROMIUM HEXACARBONYL [J].
CARROLL, DG ;
MCGLYNN, SP .
INORGANIC CHEMISTRY, 1968, 7 (07) :1285-&
[6]   ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].
CLEMENTI, E ;
RAIMONDI, DL .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&
[7]   AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].
CLEMENTI, E .
IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&
[8]   CALCULATION OF 1-ELECTRON PROPERTIES FOR FORMALDEHYDE MOLECULE WITH LCAO MO SCF FUNCTION OF FOSTER AND BOYS [J].
FLYGARE, WH ;
POCHAN, JM ;
KERLEY, GI ;
CAVES, T ;
KARPLUS, M ;
AUNG, S ;
PITZER, RM ;
CHAN, SI .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (08) :2793-&
[9]   ELECTRONEGATIVITY .1. ORBITAL ELECTRONEGATIVITY OF NEUTRAL ATOMS [J].
HINZE, J ;
JAFFE, HH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (04) :540-&
[10]   ELECTRONEGATIVITY .6. ORBITAL ELECTRONEGATIVITIES OF NEUTRAL ATOMS OF PERIODS 3 APERIODS 1 AND [J].
HINZE, J ;
JAFFE, HH .
JOURNAL OF PHYSICAL CHEMISTRY, 1963, 67 (07) :1501-&