ELECTRONIC-STRUCTURES OF ANTIAROMATIC MOLECULES

被引：100

作者：

YAMAGUCHI, K ^{[1
]}

机构：

[1] OSAKA UNIV,FAC ENGN SCI,DEPT CHEM,TOYONAKA,OSAKA,JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1975年 / 35卷 / 02期

关键词：

D O I：

10.1016/0009-2614(75)85320-6

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：230 / 235

页数：6

共 16 条

[1]

BRADLEY CJ, 1972, MATHEMATICAL THEORY

[2]

CIZEK J, 1967, J CHEM PHYS, V47, P3976

[3] MINDO-3 STUDY OF (CH)5+ AND (CH)5- [J].

DEWAR, MJS ;

HADDON, RC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (17) :5836-5837

[4] UNRESTRICTED HARTREE-FOCK THEORY OF CHEMICAL REACTIONS .1. ELECTRONIC INSTABILITIES IN CHEMICAL REACTIONS AND SOLUTIONS OF UNRESTRICTED SCF LCAO MO EQUATION FOR HOMOPOLAR 2-CENTER 2-ELECTRON SYSTEM [J].

FUKUTOME, H .

PROGRESS OF THEORETICAL PHYSICS, 1972, 47 (04) :1156-&

[5]

FUKUTOME H, 1974, PROGR THEORET PHYS, V50, P1433

[6] CYCLOPENTADIENYL AND RELATED (CH)5+ CATIONS [J].

HEHRE, WJ ;

SCHLEYER, PV .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (17) :5837-5839

[7] COMMENTS ON USE OF UNRESTRICTED HARTREE-FOCK THEORY IN ORBITAL ENERGY CROSSING [J].

JORDAN, KD ;

SILBEY, R .

CHEMICAL PHYSICS LETTERS, 1973, 18 (01) :27-30

[8] COMPLEX AND UNRESTRICTED HARTREE-FOCK WAVEFUNCTIONS [J].

OSTLUND, NS .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (07) :2994-&

[9] PROJECTED STATES OF OPEN SHELL MOLECULES - PI-ELECTRON STATES OF CYCLOPENTADIENYL CATION [J].

PHILLIPS, DH ;

SCHUG, JC .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (08) :3498-&

[10] APPROXIMATE SPIN PROJECTION OF 3-COMPONENT UHF WAVEFUNCTIONS - STATES OF PENTACHLOROCYCLOPENTADIENYL CATION AND CROCONATE DIANION, C5O52- [J].

PHILLIPS, DH ;

SCHUG, JC .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (04) :1597-1602

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