ELECTRONIC SPECTRA OF UNSATURATED HYDROCARBONS A VESCF-CI TREATMENT

被引：87
作者：
ALLINGER, NL
TAI, JC
STUART, TW
机构：
来源：
THEORETICA CHIMICA ACTA | 1967年 / 8卷 / 02期
关键词：
D O I：
10.1007/BF00526366
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
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页码：101 / &
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[1]   ORGANIC QUANTUM CHEMISTRY .7. CALCULATION OF NEAR-ULTRAVIOLET SPECTRA OF POLYOLEFINS [J].
ALLINGER, NL ;
MILLER, MA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (14) :2811-&
[2]   ORGANIC QUANTUM CHEMISTRY .14. A THEORETICAL STUDY OF MOLECULAR STRUCTURE AND ELECTRONIC SPECTRUM OF OCTALENE (BICYCLO[6.6.0]TETRADECAHEPTAENE) [J].
ALLINGER, NL ;
GILARDEA.C .
TETRAHEDRON, 1967, 23 (04) :1569-&
[3]   CALCULATED ELECTRONIC SPECTRA AND STRUCTURES OF HEPTAFULVENE AND BENZOHEPTAFULVENES [J].
ALLINGER, NL .
TETRAHEDRON, 1966, 22 (04) :1367-&
[4]   ORGANIC QUANTUM CHEMISTRY .9. ULTRAVIOLET SPECTRA OF UNSATURATED HYDROCARBONS . WOODWARDS RULES [J].
ALLINGER, NL ;
TAI, JC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (10) :2081-&
[5]   THE EFFECT OF THE ELECTROSTATIC POLARIZATION OF THE SOLVENT ON ELECTRONIC ABSORPTION SPECTRA IN SOLUTION [J].
BAYLISS, NS .
JOURNAL OF CHEMICAL PHYSICS, 1950, 18 (03) :292-296
[6]   ANALOG OF N-] TRANSITIONS IN MONO-OLEFINS [J].
BERRY, RS .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (08) :1934-&
[7]   EXPERIMENTAL AND THEORETICAL DETERMINATIONS OF BOND LENGTHS IN NAPHTHALENE, ANTHRACENE AND OTHER HYDROCARBONS [J].
CRUICKSHANK, DWJ ;
SPARKS, RA .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1960, 258 (1293) :270-285
[8]   A RE-EVALUATION OF CONJUGATION AND HYPERCONJUGATION - THE EFFECTS OF CHANGES IN HYBRIDISATION ON CARBON BONDS [J].
DEWAR, MJS ;
SCHMEISING, HN .
TETRAHEDRON, 1959, 5 (2-3) :166-178
[9]   MAGNETIC PERTURBATION OF SINGLET-TRIPLET TRANSITIONS .6. OCTA-1,3,5,7-TETRAENE [J].
EVANS, DF .
JOURNAL OF THE CHEMICAL SOCIETY, 1961, (JUN) :2566-&
[10]   EFFECT OF INCLUDING NON-NEAREST NEIGHBOR BETA TERMS IN PARISER-PARR-POPLE TYPE SELF-CONSISTENT MOLECULAR ORBITAL CALCULATIONS ON PI-ELECTRON SYSTEMS [J].
FLURRY, RL ;
BELL, JJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (03) :525-+
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