SIMPLE ABINITIO CALCULATIONS ON ELECTRONIC-STRUCTURE AND MAGNETISM FOR BENZENE AND BORAZINE

被引：16

作者：

BLUSTIN, PH

机构：

来源：

MOLECULAR PHYSICS | 1978年 / 36卷 / 01期

关键词：

D O I：

10.1080/00268977800101561

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：279 / 285

页数：7

共 28 条

[1] MOLECULAR POLARIZABILITIES AND SUSCEPTIBILITIES FROM FROST-MODEL WAVEFUNCTIONS [J].

AMOS, AT ;

YOFFE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (11) :4723-4729

[2] ELECTRONIC-STRUCTURES AND ENERGIES OF BORAZINE, BORONIMIDE AND DIMERIC BORONIMIDE [J].

ARMSTRONG, DR ;

CLARK, DT .

THEORETICA CHIMICA ACTA, 1972, 24 (04) :307-+

[3] MAGNETIC CRITERIA FOR AROMATICITY [J].

BENASSI, R ;

LAZZERETTI, P ;

TADDEI, F .

JOURNAL OF PHYSICAL CHEMISTRY, 1975, 79 (08) :848-851

[4]

BERGMANN ED, 1970, P JERUSALEM S QUANTU, V3, P9

[5] SIMPLE ABINITIO CALCULATIONS USING A FLOATING BASIS - PERIODIC CORRELATIONS IN 2ND ROW DIATOMIC HYDRIDES [J].

BLUSTIN, PH .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (12) :5648-5655

[6] AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - HYDROCARBON CHARACTERIZATIONS [J].

CHRISTOF.RE ;

GENSON, DW ;

MAGGIORA, GM .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (01) :239-&

[7] RING MAGNETIC-SUSCEPTIBILITIES IN CONJUGATED HYDROCARBONS [J].

COULSON, CA ;

GOMES, JANF ;

MALLION, RB .

MOLECULAR PHYSICS, 1975, 30 (03) :713-732

[8]

DAUBEN HJ, 1968, J AM CHEM SOC, V90, P811

[9]

DISCH RL, 1971, CHEM PHYS LETT, V8, P361

[10] FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL OF MOLECULAR STRUCTURE .2. 1- AND 2-ELECTRON-PAIR SYSTEMS [J].

FROST, AA .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (10) :3714-&

← 1 2 3 →