SCMO PI-ELECTRON CALCULATIONS OF SPECTRA AND IONIZATION POTENTIALS OF SOME METHYL SUBSTITUTED BENZENES

被引：22

作者：

FLURRY, RL

机构：

来源：

THEORETICA CHIMICA ACTA | 1967年 / 9卷 / 01期

关键词：

D O I：

10.1007/BF00526113

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：96 / &

共 15 条

[1] PROTON HYPERFINE INTERACTIONS IN SEMIQUINONE IONS [J].

BERSOHN, R .

JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (05) :1066-1070

[2] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .4. ALL-ELECTRON SCF WAVEFUNCTION FOR GROUND STATE OF PYRIDINE [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (12) :4731-&

[3] EXCITED-STATE REACTIVITIES .3. USE OF CONFIGURATION INTERACTION TO CALCULATE EXCITED-STATE LOCALIZATION ENERGIES [J].

FLURRY, RL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (23) :5393-&

[4] EXCITED-STATE REACTIVITIES .2. BASICITIES OF SOME POLYMETHYLBENZENES IN THEIR EXCITED SINGLET STATES [J].

FLURRY, RL ;

WILSON, RK .

JOURNAL OF PHYSICAL CHEMISTRY, 1967, 71 (03) :589-&

[5] A QUANTUM CHEMICAL TREATMENT OF BASICITIES OF METHYLBENZENES IN GROUND AND LOWEST TRIPLET STATES [J].

FLURRY, RL ;

LYKOS, PG .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (08) :1033-&

[6] AN SCMO CALCULATION OF THE SPIN DENSITIES IN THE METHYL SUBSTITUTED BENZENE NEGATIVE IONS [J].

FLURRY, RL ;

LYKOS, PG .

MOLECULAR PHYSICS, 1963, 6 (03) :283-288

[7]

FLURRY RL, 1967, J AM CHEM SOC, V89, P529

[8] ELECTRONEGATIVITY .1. ORBITAL ELECTRONEGATIVITY OF NEUTRAL ATOMS [J].

HINZE, J ;

JAFFE, HH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (04) :540-&

[9] A SEMIEMPIRICAL APPROACH TO HYPERCONJUGATION AND APPLICATION TO TOLUENE XYLENES AND MESITYLENE [J].

LINDNER, P ;

MARTENSS.O .

THEORETICA CHIMICA ACTA, 1967, 7 (04) :352-&

[10]

NISHIMOTO K, 1957, Z PHYSIK CHEM FRANKF, V13, P140

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