PREDICTION OF VIBRATIONAL-SPECTRUM OF ISOBUTYLENE BY THE CNDO-2 FORCE METHOD

被引：0

作者：

MOCHALOV, VI

PANCHENKO, YN

PUPYSHEV, VI

STEPANOV, NF

机构：

来源：

VESTNIK MOSKOVSKOGO UNIVERSITETA SERIYA 2 KHIMIYA | 1980年 / 21卷 / 03期

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暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：241 / 243

页数：3

共 13 条

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HAWLEY, CW ;

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[2]

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[3]

FERRARO JR, 1969, INTRO GROUP THEORY I, P199

[4] DIRECT OBSERVATION OF TORSIONAL VIBRATIONS IN ISOBUTYLENE, ISOBUTYLENE-D6, AND ISOBUTYLENE-D8 BY RAMAN SCATTERING [J].

HARRIS, WC ;

LEVIN, IW .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (07) :3227-&

[5]

LUTTKE W, 1967, BERICH BUNSEN GESELL, V71, P34

[6] PREDICTION OF VIBRATIONAL-SPECTRA BY CNDO-2 FORCE METHOD .2. CALCULATION OF VIBRATIONAL FREQUENCIES OF CIS AND TRANS FORMS OF GLYOXAL, ACROLEIN AND 1,3 BUTADIENE [J].

PANCHENKO, YN ;

PULAY, P ;

TOROK, F .

JOURNAL OF MOLECULAR STRUCTURE, 1976, 34 (02) :283-289

[7] INFRARED AND RAMAN SPECTRA OF ISOBUTENE AND ISOBUTENE-D8 [J].

PATHAK, CM ;

FLETCHER, WH .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1969, 31 (01) :32-&

[8]

Pople J, 1970, APPROXIMATE MOL ORBI

[9] AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY [J].

PULAY, P .

MOLECULAR PHYSICS, 1969, 17 (02) :197-&

[10]

SHIMANOUCHI T, 1972, TABLES MOL VIBRATION, V39, P148

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