AB-INITIO LCAO-MO-SCF STUDY OF ELECTRONIC-STRUCTURE OF PHOSPHIRANE AND THIIRANE

被引:19
作者
ABSAR, I [1 ]
SCHAAD, LJ [1 ]
VANWAZER, JR [1 ]
机构
[1] VANDERBILT UNIV,DEPT CHEM,NASHVILLE,TN 37235
来源
THEORETICA CHIMICA ACTA | 1973年 / 29卷 / 02期
关键词
D O I
10.1007/BF00529440
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:173 / 181
页数:9
相关论文
共 32 条
[1]   AB-INITIO LCAO-MO-SCF STUDY OF BONDING IN SIMPLEST PHOSPHORUS YLIDE [J].
ABSAR, I ;
VANWAZER, JR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (07) :2382-&
[2]   APPROXIMATION FOR GAUSSIAN D-ORBITAL EXPONENTS OF SECOND-ROW ATOMS FOR LCAO MO SCF STUDIES [J].
ABSAR, I ;
VANWAZER, JR .
CHEMICAL PHYSICS LETTERS, 1971, 11 (03) :310-&
[3]   ROTATIONAL BARRIER AND ELECTRONIC-STRUCTURE OF MONOMETHYLPHOSPHINE FROM AB-INITIO LCAO-MO-SCF CALCULATIONS [J].
ABSAR, I ;
VANWAZER, JR .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (03) :1284-&
[4]  
ABSAR I, 1972, J CHEM SOC F2, P1055
[5]   BASIS FUNCTIONS FOR ABINITIO CALCULATIONS [J].
ALLEN, LC ;
KARO, AM .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :275-285
[6]   MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2 [J].
BONACCOR.R ;
SCROCCO, E ;
TOMASI, J .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5270-&
[7]   MICROWAVE SPECTRA MOLECULAR STRUCTURE AND DIPOLE MOMENT OF PHOSPHIRANE [J].
BOWERS, MT ;
BEAUDET, RA ;
GOLDWHIT.H ;
TANG, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (01) :17-+
[8]   INFRARED SPECTRAL STUDIES OF PHOSPHIRAN AND SOME RELATED COMPOUNDS [J].
CHAN, S ;
GOLDWHITE, H ;
KEYZER, H ;
TANG, R .
SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1970, A 26 (01) :249-+
[9]   NON EMPIRICAL LCAO-MO-SCF CALCULATIONS WITH GAUSSIAN TYPE FUNCTIONS ON SOME 3 MEMBERED RING HETEROCYCLES .2. ENERGIES AND POPULATION ANALYSIS [J].
CLARK, DT .
THEORETICA CHIMICA ACTA, 1969, 15 (03) :225-&
[10]  
COTTRELL TL, 1958, STRENGTHS CHEMICAL B