CNDO-MO-SCF-CI STUDY ON PHOTOELECTRON AND ELECTRONIC-SPECTRA OF MOLECULES - SOME UNSATURATED-HYDROCARBONS

被引：15

作者：

KOBAYASHI, T ^{[1
]}

机构：

[1] UNIV TOKYO,INST SOLID STATE PHYS,TOKYO 113,JAPAN

来源：

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA | 1976年 / 9卷 / 05期

关键词：

D O I：

10.1016/0368-2048(76)80056-4

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

引用

页码：381 / 390

页数：10

共 26 条

[21] MOLECULAR-ORBITAL THEORY OF THE ELECTRONIC-STRUCTURE OF ORGANIC-COMPOUNDS .3. A CNDO/S-CI SCF-MO STUDY ON THE LOWER ELECTRONIC STATES OF LARGE MOLECULES - SINGLET-SINGLET TRANSITIONS OF DIOXODIAZACYCLOALKANES
GRINBERG, H
NUDELMAN, NS
MARANON, J
SORARRAIN, OM
GOMEZ, CF
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1981, 36 (05): : 494 - 501
[22] PREDICTIONS OF MOLECULAR GEOMETRIES AND ELECTRONIC-SPECTRA OF COMPLEX UNSATURATED MOLECULES FROM MC-LCAO-MO METHOD WITH PARTICULAR REFERENCE TO TRIPLET-TRIPLET TRANSITIONS OF NAPHTHALENE
NAKAYAMA, M
SAZI, K
IHAYA, YJ
THEORETICA CHIMICA ACTA, 1975, 38 (04): : 327 - 339
[23] PREDICTIONS OF MOLECULAR GEOMETRIES AND ELECTRONIC-SPECTRA OF COMPLEX UNSATURATED MOLECULES FROM MC-LCAO-MO METHOD .2. 1,3-BUTADIENE AND CYCLOBUTADIENE
NAKAYAMA, M
NISHIHIRA, M
IHAYA, YJ
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1976, 49 (06) : 1502 - 1507
[24] ELECTRONIC-STRUCTURE AND SPECTRA OF ORGANIC-MOLECULES .20. SCF-MO CI CALCULATIONS FOR AMINO DERIVATIVES OF 2-OXO AND 4-OXO AND THIO-SUBSTITUTED PYRIDINES
KWIATKOWSKI, JS
MICHNA, F
SZCZODROWSKA, B
ACTA PHYSICA POLONICA A, 1976, 49 (03) : 393 - 408
[25] STUDY OF PHOTOELECTRON-SPECTRA OF SOME XPY3 MOLECULES (X = O, S AND Y = CL, BR) BY THE SCF-X ALPHA-SW METHOD
PAN, YK
XIN, M
LI, D
CHIU, LYC
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 29 (03) : 393 - 397
[26] QUANTUM-CHEMICAL STUDY OF RADICAL IONS AND MOLECULES INCORPORATING SOLVENT EFFECT .3. CALCULATION OF ELECTRONIC-SPECTRA OF CONJUGATED RADICAL-ANIONS IN CNDO AND INDO APPROXIMATIONS BY LONGUET-HIGGINS-POPLE AND ROOTHAAN RESTRICTED METHODS
MIERTUS, S
KYSEL, O
CHEMICAL PHYSICS, 1977, 21 (01) : 47 - 52

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