VALENCE-SHELL CALCULATIONS ON POLYATOMIC MOLECULES .3. CALCULATION OF DIPOLE MOMENTS AND STRUCTURE OF SYDNONE

被引：47
作者：
BLOOR, JE
GILSON, BR
BILLINGS.FP
机构：
来源：
THEORETICA CHIMICA ACTA | 1968年 / 12卷 / 05期
关键词：
D O I：
10.1007/BF00525913
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：360 / +
相关论文
共 44 条
[1]   SIGMA-POLARIZATION IN 5-MEMBERED HETEROCYCLIC RING SYSTEMS [J].
ADAM, W ;
GRIMISON, A .
THEORETICA CHIMICA ACTA, 1967, 7 (04) :342-+
[2]  
ARMSTRONG AT, 1968, SPECTROSC LETT, V1, P43
[3]   REFINEMENT OF LCAO MO SCF WAVEFUNCTION AND RECALCULATION OF ONE-ELECTRON PROPERTIES FOR FORMALDEHYDE MOLECULE [J].
AUNG, S ;
PITZER, RM ;
CHAN, SI .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (09) :3457-&
[4]   MESO-IONIC COMPOUNDS [J].
BAKER, W ;
OLLIS, WD .
QUARTERLY REVIEWS, 1957, 11 (01) :15-29
[5]   THE ELECTRONIC STRUCTURE OF HYDROGEN FLUORIDE [J].
BALLINGER, RA .
MOLECULAR PHYSICS, 1959, 2 (02) :139-157
[6]   ELECTRONIC STATES OF AMIDE GROUP [J].
BASCH, H ;
ROBIN, MB ;
KUEBLER, NA .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (04) :1201-&
[7]   THEORETICAL STUDIES ON ELECTRONIC SPECTRA OF SUBSTITUTED AROMATIC MOLECULES .4. PPP-SCF PARAMETERS FOR POLYSUBSTITUTED BENZENES AND 5-MEMBERED RING HETEROCYCLICS CONTAINING NITROGEN OXYGEN AND SULFUR [J].
BILLINGSLEY, FP ;
BLOOR, JE .
THEORETICA CHIMICA ACTA, 1968, 11 (04) :325-+
[8]   VALENCE-SHELL CALCULATIONS ON POLYATOMIC MOLECULES .I. CNDO SCF CALCULATIONS ON NITROGEN AND OXYGEN HETEROCYCLICS [J].
BLOOR, JE ;
BREEN, DL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (26) :6835-&
[9]   VALENCE SHELL CALCULATIONS ON POLYATOMIC MOLECULES .2. CNDO SCF CALCULATIONS ON MONOSUBSTITUTED BENZENES [J].
BLOOR, JE ;
BREEN, DL .
JOURNAL OF PHYSICAL CHEMISTRY, 1968, 72 (02) :716-&
[10]   ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].
CLEMENTI, E ;
RAIMONDI, DL .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&
12345