A COMPARATIVE STUDY OF SCFMO CALCULATIONS ON ALTERNANT AND NONALTERNANT HYDROCARBONS

被引：58

作者：

BLOOR, JE

GILSON, BR

BREARLEY, N

机构：

来源：

THEORETICA CHIMICA ACTA | 1967年 / 8卷 / 01期

关键词：

D O I：

10.1007/BF00533623

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：35 / &

共 51 条

[1] AN IMPROVED LCAO-MO-SCF PI-ELECTRON METHOD .I. HYDROCARBONS [J].

ADAMS, OW ;

MILLER, RL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (03) :404-&

[2]

ADAMS OW, PRIVATE COMMUNICATIO

[3]

ANEX BG, 1964, S COLUMBUS

[4] *TRANSITIONS CACHEES DANS LES BANDES DABSORPTION DU STILBENE DANS LE PROCHE ULTRAVIOLET [J].

BEALE, RN ;

ROE, EMF .

JOURNAL DE PHYSIQUE ET LE RADIUM, 1954, 15 (7-9) :595-598

[5] ELECTRONIC STRUCTURE AND SPECTRA OF CIS- AND TRANS-STILBENE [J].

BEVERIDGE, DL ;

JAFFE, HH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (23) :5340-+

[6] THEORETICAL STUDIES ON ELECTRONIC SPECTRA OF SUBSTITUTED AROMATIC MOLECULES .3. SEMIEMPIRICAL SCF CALCULATIONS FOR POLYCYCLIC ALTERNANT HYDROCARBONS [J].

BLOOR, JE ;

BREARLEY, N .

CANADIAN JOURNAL OF CHEMISTRY, 1965, 43 (06) :1761-&

[7]

BLOOR JE, UNPUBLISHED WORK

[8]

BROCKLEHURST P, PRIVATE COMMUNICATIO

[9] CRYSTAL MOLECULAR STRUCTURE OF PYRENE [J].

CAMERMAN, A ;

TROTTER, J .

ACTA CRYSTALLOGRAPHICA, 1965, 18 :636-+

[10] GROUND STATES OF CONJUGATED MOLECULES .I. SEMIEMPIRICAL SCF MO TREATMENT AND ITS APPLICATION TO AROMATIC HYDROCARBONS [J].

CHUNG, ALH ;

DEWAR, MJS .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (02) :756-&

← 1 2 3 4 5 6 →