THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .3. A COMPARISON OF BENZENE, BORAZINE, AND BOROXINE

被引：63

作者：

COOPER, DL

WRIGHT, SC

GERRATT, J

HYAMS, PA

RAIMONDI, M

机构：

[1] UNIV BRISTOL,DEPT THEORET CHEM,BRISTOL BS8 1TS,AVON,ENGLAND

[2] UNIV MILAN,DIPARTIMENTO CHIM FIS & ELETTROCHIM,I-20133 MILANO,ITALY

来源：

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1989年 / 06期

关键词：

D O I：

10.1039/p29890000719

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

页码：719 / 724

页数：6

共 19 条

[11] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :716-+

[12]

DUNNING TH, 1977, METHODS ELECTRONIC S

[13]

GARRATT PJ, 1986, AROMATICITY, pCH11

[14] MOLECULAR-ORBITAL STUDIES OF THE HETERO(A,B)POLYENES AND HETERO(A,B)ANNULENES [(A,B) = (C,C), (C,N), (B,N), (B,O)] [J].

HADDON, RC .

PURE AND APPLIED CHEMISTRY, 1982, 54 (05) :1129-1142

[15]

HAIDUC I, 1987, CHEM INORGANIC HOMO, V1

[16] STRUCTURE OF BORAZINE [J].

HARSHBARGER, W ;

LEE, G ;

PORTER, RF ;

BAUER, SH .

INORGANIC CHEMISTRY, 1969, 8 (08) :1683-+

[17] THE TRANSFORMATION OF CAS SCF WAVE-FUNCTIONS TO VALENCE BOND SPACE [J].

MCDOUALL, JJW ;

ROBB, MA .

CHEMICAL PHYSICS LETTERS, 1987, 142 (3-4) :131-135

[18]

Pauncz R., 1979, SPIN EIGENFUNCTIONS

[19]

[No title captured]

← 1 2 →