RESONANCE INTEGRALS IN SEMI-EMPIRICAL MO THEORIES

被引：29

作者：

DEBRUIJN, S

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1978年 / 54卷 / 03期

关键词：

D O I：

10.1016/0009-2614(78)85248-8

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：399 / 406

页数：8

共 30 条

[1] GROUND STATES OF SIGMA-BONDED MOLECULES .4. MINDO METHOD AND ITS APPLICATION TO HYDROCARBONS [J].

BAIRD, NC ;

DEWAR, MJS .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) :1262-&

[2] SOME LIMITATIONS OF MINDO-3 METHOD [J].

BANTLE, S ;

AHLRICHS, R .

CHEMICAL PHYSICS LETTERS, 1978, 53 (01) :148-151

[3] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293

[4]

BRUIJN SD, 1970, THEORET CHIM ACTA, V17, P293

[5]

BRUIJN SD, UNPUBLISHED

[6]

CHONG DP, 1966, MOL PHYS, V10, P67

[7] GASEOUS IONS .3. MINDO-3 CALCULATIONS FOR REARRANGEMENTS OF SUBSTITUTED BENZYL CATIONS [J].

DEWAR, MJS ;

LANDMAN, D .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (14) :4633-4639

[8] CONCERNING CRITICISMS OF MINDO-3 BY POPLE AND HEHRE [J].

DEWAR, MJS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (22) :6591-6591

[9]

DEWAR MJS, 1969, MOLECULAR ORBITAL TH

[10]

DITS H, 1977, CHEM PHYS LETT, V51, P95, DOI 10.1016/0009-2614(77)85363-3

← 1 2 3 →