ON DEVELOPMENT OF SEMIEMPIRICAL METHODS IN MO FORMALISM

被引：94

作者：

JUG, K

机构：

[1] Department of Chemistry, Illinois Institute of Technology, Chicago, 60616, Illinois

[2] Department of Chemistry, Saint Louis University, Saint Louis, Missouri

来源：

THEORETICA CHIMICA ACTA | 1969年 / 14卷 / 02期

关键词：

D O I：

10.1007/BF00528229

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：

[No abstract available]

引用

页码：91 / &

共 236 条

[41] A SIMPLE MO-LCAO METHOD FOR THE CALCULATION OF CHARGE DISTRIBUTIONS IN SATURATED ORGANIC MOLECULES [J].

DELRE, G .

JOURNAL OF THE CHEMICAL SOCIETY, 1958, (NOV) :4031-4040

[42]

DELRE G, 1963, REV MOD PHYS, V35, P604

[43] GROUND STATES OF SIGMA-BONDED MOLECULES .I. A SEMIEMPIRICAL SCF MO TREATMENT OF HYDROCARBONS [J].

DEWAR, MJS ;

KLOPMAN, G .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (13) :3089-&

[44] GROUND STATES OF CONJUGATED MOLECULES .7. COMPOUNDS CONTAINING NITROGEN AND OXYGEN [J].

DEWAR, MJS ;

GLEICHER, GJ .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (02) :759-&

[45] SPLIT P-ORBITAL (SPO) METHOD .3. RELATIONSHIP TO OTHER MO TREATMENTS AND APPLICATION TO BENZENE, BUTADIENE, AND NAPHTHALENE [J].

DEWAR, MJS ;

SABELLI, NL .

JOURNAL OF PHYSICAL CHEMISTRY, 1962, 66 (12) :2310-&

[46] ERSTE MITTEILUNG UBER ABSOLUTRECHNUNGEN NACH DER NEUEN SCF-MO-LC(LCGO)-METHODE AM BENZOL UND CYCLOPENTADIENYLANION [J].

DIERCKSEN, G ;

PREUSS, H .

ZEITSCHRIFT FUR NATURFORSCHUNG PART A-ASTROPHYSIK PHYSIK UND PHYSIKALISCHE CHEMIE, 1966, A 21 (06) :863-+

[47] APPROXIMATE SELF-CONSISTENT FIELD MOLECULAR ORBITAL CALCULATIONS FOR VALENCE SHELL ELECTRONIC STATES [J].

DIXON, RN .

MOLECULAR PHYSICS, 1967, 12 (01) :83-&

[48] ITERATIVE EXTENDED HUCKEL METHOD (IEHM) [J].

DUKE, BJ .

THEORETICA CHIMICA ACTA, 1968, 9 (03) :260-&

[49] LOCALIZED ATOMIC AND MOLECULAR ORBITALS [J].

EDMISTON, C ;

RUEDENBERG, K .

REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :457-&

[50] GROUND STATE WAVEFUNCTIONS OF SOME CONJUGATED CARBON COMPOUNDS - NPSO METHOD [J].

EMPEDOCLES, PB ;

LINNETT, JW .

THEORETICA CHIMICA ACTA, 1966, 4 (04) :377-+

← 1 2 3 4 5 6 7 8 9 10 →