SEMI-EMPIRICAL PARAMETERS IN PI-ELECTRON SYSTEMS .4. HETEROATOMIC MOLECULES CONTAINING CHLORINE ATOMS

被引：32

作者：

GRABE, B

机构：

来源：

ACTA CHEMICA SCANDINAVICA | 1968年 / 22卷 / 07期

关键词：

D O I：

10.3891/acta.chem.scand.22-2237

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

引用

页码：2237 / &

共 47 条

[21] LCAO-MO-SCF-CI SEMI-EMPIRICAL PI-ELECTRON CALCULATIONS ON HETEROAROMATIC SYSTEMS .I. HYDROXY AROMATIC COMPOUNDS
PUKANIC, GW
FORSHEY, DR
WEGENER, JD
GREENSHI.JB
THEORETICA CHIMICA ACTA, 1967, 9 (01): : 38 - &
[22] CALCULATION OF PI-ELECTRON DENSITIES USING VARIABLE ELECTRONEGATIVITY MODIFICATION OF SEMI-EMPIRICAL SELF CONSISTENT FIELD METHOD
EMSLEY, JW
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1968, (10): : 2523 - &
[23] SEMI-EMPIRICAL MO-CI CALCULATIONS ON EXCITED STATES .4. UNSATURATED MOLECULES
SALAHUB, DR
THEORETICA CHIMICA ACTA, 1971, 22 (04): : 330 - +
[24] SEMI-EMPIRICAL CALCULATION ON CORE IONIZATIONS AND SIMULTANEOUS EXCITATIONS BY USE OF THE PI-ELECTRON AND EQUIVALENT CORE APPROXIMATIONS - THE THEORETICAL FOUNDATIONS OF THE METHOD AND THE APPLICATION TO SOME PI-CONJUGATED MOLECULES
KOSUGI, N
KURODA, H
CHEMICAL PHYSICS, 1981, 61 (03) : 431 - 442
[25] SEMI-EMPIRICAL CONFIGURATION-INTERACTION STUDIES ON PI-ELECTRON SPECTRA OF NITROGEN-HETEROCYCLES - AZANAPHTHALENES, AZAANTHRACENES AND AZAPHENANTHRENES
DASGUPTA, NK
DASGUPTA, A
BIRSS, FW
INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY, 1982, 21 (04): : 334 - 339
[26] THE CONCEPT OF ELECTRONEGATIVITY OF ATOMS .4. DISCUSSION OF SEMI-EMPIRICAL AND THEORETICAL METHODS OF DETERMINING ELECTRONEGATIVITY VALUES
SPIRIDONOV, VN
TATEVSKY, VM
ZHURNAL FIZICHESKOI KHIMII, 1963, 37 (09): : 1973 - 1978
[27] Separation of the energetic and geometric contributions to the aromaticity .4. A general model for the pi-electron systems.
Krygowski, TM
Cyranski, M
TETRAHEDRON, 1996, 52 (30) : 10255 - 10264
[28] MAGNETIC CIRCULAR-DICHROISM OF CYCLIC PI-ELECTRON SYSTEMS .4. AZA ANALOGS OF BENZENE
CASTELLAN, A
MICHL, J
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (22) : 6824 - 6827
[29] SCF PI-ELECTRON CALCULATIONS USING ORTHOGONALISED ATOMIC ORBITALS .4. NON-EMPIRICAL CALCULATIONS FOR OPEN-SHELL SYSTEMS
ROBERTS, G
WARREN, KD
THEORETICA CHIMICA ACTA, 1971, 22 (02): : 184 - &
[30] SEMI-EMPIRICAL SCF MOLECULAR ORBITAL TREATMENT FOR VALENCE ELECTRON SYSTEMS .I. SMALL MOLECULES
YONEZAWA, T
YAMAGUCH.K
KATO, H
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1967, 40 (03) : 536 - +

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