AB-INITIO AND MZDO WAVE FUNCTIONS FOR SF6

被引:18
作者
BENDAZZO.GL
PALMIERI, P
CAIOLI, B
PINCELLI
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D O I
10.1080/00268977000101871
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 ;
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页码:865 / &
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共 16 条
[1]  
BENDAZZOLI GL, UNPUBLISHED RESULTS
[2]   ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM [J].
BOYS, SF .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063) :542-554
[3]  
CLEMENTI E, 1965, IBM J RES DEV S, V9, P1
[4]   APPROXIMATE AB INITIO CALCULATIONS ON POLYATOMIC MOLECULES [J].
COOK, DB ;
HOLLIS, PC ;
MCWEENY, R .
MOLECULAR PHYSICS, 1967, 13 (06) :553-&
[5]   APPROXIMATE AB INITIO CALCULATIONS ON POLYATOMIC MOLECULES .2. [J].
COOK, DB ;
PALMIERI, P .
MOLECULAR PHYSICS, 1969, 17 (03) :271-&
[6]   D ORBITALS IN COMPOUNDS OF SECONE-ROW ELEMENTS .2. COMPARISON OF H, C, F, AND CL AS LIGANDS [J].
CRAIG, DP ;
ZAULI, C .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (03) :609-&
[7]   Ab initio MO SCF calculations of ESCA shifts in sulphur-containing molecules [J].
Gelius, U. ;
Roos, B. ;
Siegbahn, P. .
CHEMICAL PHYSICS LETTERS, 1970, 4 (08) :471-475
[8]   SELF-CONSISTENT GROUP CALCULATIONS ON POLYATOMIC MOLECULES .I. BASIC THEORY WITH AN APPLICATION TO METHANE [J].
KLESSING.M ;
MCWEENY, R .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (10) :3343-&
[10]   ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J].
MULLIKEN, RS .
JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1833-1840