NON-EMPIRICAL VALENCE-ELECTRON CALCULATIONS ON SMALL MOLECULES CONTAINING PHOSPHORUS OR SULFUR

被引:14
作者
HYDE, RG [1 ]
PEEL, JB [1 ]
TERAUDS, K [1 ]
机构
[1] LA TROBE UNIV,DEPT PHYS CHEM,3083 BUNDOORA,VICTORIA,AUSTL.
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1973年 / 69卷 / 11期
关键词
D O I
10.1039/f29736901563
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1563 / 1568
页数:6
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共 31 条
[1]   SELF-CONSISTENT-FIELD STUDY OF SERIES XEF2, XEF4, XEF6 [J].
BASCH, H ;
MOSKOWIT.JW ;
HOLLISTE.C ;
HANKIN, D .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (04) :1922-&
[2]   LIMITED EXPANSION OF DIATOMIC OVERLAP (LEDO) - NEAR-ACCURATE APPROXIMATE AB-INITIO LCAO MO METHOD .1. THEORY AND PRELIMINARY INVESTIGATIONS [J].
BILLINGS.FP ;
BLOOR, JE .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (11) :5178-&
[3]   SIMPLIFIED AB-INITIO CALCULATIONS FOR MOLECULAR SYSTEMS [J].
BROWN, RD ;
BURDEN, FR ;
WILLIAMS, GR .
THEORETICA CHIMICA ACTA, 1970, 18 (02) :98-&
[4]   ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].
CLEMENTI, E ;
RAIMONDI, DL .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&
[5]   APPROXIMATE AB INITIO CALCULATIONS ON POLYATOMIC MOLECULES [J].
COOK, DB ;
HOLLIS, PC ;
MCWEENY, R .
MOLECULAR PHYSICS, 1967, 13 (06) :553-&
[6]   THE STRUCTURE AND DIPOLE MOMENT OF SO2 FROM MICROWAVE SPECTRA [J].
CRABLE, GF ;
SMITH, WV .
JOURNAL OF CHEMICAL PHYSICS, 1951, 19 (04) :502-502
[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-FIELD WAVEFUNCTIONS FOR COMPLEX MOLECULES - APPROXIMATION OF PARTIAL RETENTION OF DIATOMIC DIFFERENTIAL OVERLAP [J].
HALGREN, TA ;
LIPSCOMB, WN .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (04) :1569-1591
[9]   ELECTRON DIFFRACTION STUDY OF STRUCTURE OF PF5 [J].
HANSEN, KW ;
BARTELL, LS .
INORGANIC CHEMISTRY, 1965, 4 (12) :1775-&
[10]  
HERSH OL, 1963, DISSERT ABSTR, V24, P2286