A CNDO CI STUDY OF ELECTRONIC STRUCTURE OF SYDNONE AND 3-METHYLSYDNONE

被引：25

作者：

SCHMID, GH

机构：

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1970年 / 5卷 / 03期

关键词：

D O I：

10.1016/0022-2860(70)80007-2

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

页码：236 / &

共 11 条

[1] MESO-IONIC COMPOUNDS [J].

BAKER, W ;

OLLIS, WD .

QUARTERLY REVIEWS, 1957, 11 (01) :15-29

[2] STRUCTURE OF N-(P-BROMOPHENYL)SYDNONE [J].

BARNIGHAUSEN, H ;

MUNNIK, J ;

VOS, A ;

JELLINEK, F .

ACTA CRYSTALLOGRAPHICA, 1963, 16 (06) :471-&

[3]

DELBENE J, 1968, J CHEM PHYS, V48, P1807

[4]

EARL JC, 1949, J CHEM SOC, pS103

[5] MOLECULAR ORBITAL CALCULATIONS OF ELECTRONIC STRUCTURE OF SYDNONES [J].

KIER, LB ;

ROCHE, EB .

JOURNAL OF PHARMACEUTICAL SCIENCES, 1966, 55 (08) :807-&

[6] A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .2. [J].

PARISER, R ;

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (05) :767-776

[7] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES [J].

POPLE, JA ;

SANTRY, DP ;

SEGAL, GA .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S129-+

[8] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .2. CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP [J].

POPLE, JA ;

SEGAL, GA .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S136-+

[9] CHEMISTRY OF SYDNONES [J].

STEWART, FHC .

CHEMICAL REVIEWS, 1964, 64 (02) :129-&

[10]

Sundaram K., 1968, INT J QUANTUM CHEM, V2, P145

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