AB-INITIO SCF AND CI STUDY OF ELECTRONIC-SPECTRUM OF PYRIDINE N-OXIDE

被引：42

作者：

HA, TK ^{[1
]}

机构：

[1] ETH,PHYS CHEM LAB,CH-8006 ZURICH,SWITZERLAND

来源：

THEORETICA CHIMICA ACTA | 1977年 / 43卷 / 04期

关键词：

D O I：

10.1007/BF00548689

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

收藏

页码：337 / 349

页数：13

相关论文

共 34 条

[1] ROTATIONAL ANALYSIS OF 342 NM BAND OF PYRIDINE-N-OXIDE
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TANG, KT
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[2] MOLECULAR-STRUCTURE OF PYRIDINE-N-OXIDE
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[3] USE OF CNDO METHOD IN SPECTROSCOPY .3. MONOSUBSTITUTED BENZENES AND PYRIDINES
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (03) : 1221 - &
[4] ELECTRONIC STRUCTURES OF PYRIDINE-N-OXIDE AND RELATED COMPOUNDS
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[J]. THEORETICA CHIMICA ACTA, 1968, 11 (02): : 145 - &
[5] AB-INITIO SCF CI STUDY OF ELECTRONIC-SPECTRUM OF S-TETRAZINE
HA, TK
[J]. MOLECULAR PHYSICS, 1975, 29 (06) : 1829 - 1846
[6] AB-INITIO SCF AND CI STUDY OF ELECTRONIC-STRUCTURE AND N-] PI-STAR EXCITATION OF CH3CHO, NH2CHO,HOCHO AND FCHO
HA, TK
KELLER, L
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1975, 27 (02) : 225 - 232
[7] PROPERTIES OF PYRIDINE AND PYRAZINE FROM AB-INITIO MOLECULAR-ORBITAL WAVE-FUNCTIONS
HA, TK
OKONSKI, CT
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (03) : 609 - 622
[8] AB-INITIO SCF-CI STUDY OF ELECTRONIC-SPECTRA OF NITROETHYLENE
HA, TK
[J]. MOLECULAR PHYSICS, 1974, 27 (03) : 753 - 761
[9] AB-INITIO SCF CI STUDY OF ELECTRONIC-SPECTRUM OF NITROSO-METHANE
HA, TK
WILD, UP
[J]. CHEMICAL PHYSICS, 1974, 4 (02) : 300 - 306
[10] AB-INITIO SCF AND CI STUDY OF ELECTRONIC-STRUCTURE OF BH3CO
HA, TK
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1976, 30 (01) : 103 - 111

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