COMPARISON OF AB-INITIO, CNDO-2 AND EXPERIMENTAL DIPOLE-MOMENT DERIVATIVES FOR C2 HYDROCARBONS AND FORMALDEHYDE

被引：55

作者：

JALSOVSZKY, G ^{[1
]}

PULAY, P ^{[1
]}

机构：

[1] HUNGARIAN ACAD SCI,CENT RES INST,BUDAPEST,HUNGARY

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1975年 / 26卷 / 02期

关键词：

D O I：

10.1016/0022-2860(75)80011-1

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：277 / 287

页数：11

共 24 条

[1] CNDO CALCULATION OF DIPOLE-MOMENT DERIVATIVES AND INFRARED INTENSITIES OF FORMALDEHYDE
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[2] CNDO CALCULATION OF DIPOLE-MOMENT DERIVATIVES AND INFRARED INTENSITIES OF C6H6 AND C6F6
BRUNS, RE
PERSON, WB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (01) : 324 - &
[3] VIBRATIONAL INTENSITIES .2. THE USE OF ISOTOPES
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[4] THE POTENTIAL FUNCTION OF ETHYLENE
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[5] INFRARED CRYSTAL SPECTRA OF C2H4, C2D4, AND AS-C2H2D2 AND GENERAL HARMONIC FORCE FIELD OF ETHYLENE
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MCKEAN, DC
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[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1973, 45 (02) : 221 - 246
[6] THE CALCULATION OF FORCE CONSTANTS AND NORMAL COORDINATES .5. CONSTRAINED FORCE FIELDS FOR A SERIES OF METHYL AND DIMETHYL COMPOUNDS OF 3-FOLD SYMMETRY
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[J]. SPECTROCHIMICA ACTA, 1964, 20 (07): : 1197 - 1221
[7] GENERAL HARMONIC FORCE-FIELD OF FORMALDEHYDE
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[J]. CHEMICAL PHYSICS LETTERS, 1973, 23 (04) : 597 - 599
[8] BOND MOMENTS, THEIR RELIABILITY AND ADDITIVITY - SULFUR DIOXIDE AND ACETYLENE
EGGERS, DF
HISATSUNE, IC
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[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1955, 59 (11) : 1124 - 1129
[9] VIBRATIONAL INTENSITIES .6. ETHYLENE AND ITS DEUTEROISOTOPES
GOLIKE, RC
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PERSON, WB
CRAWFORD, B
[J]. JOURNAL OF CHEMICAL PHYSICS, 1956, 25 (06) : 1266 - 1275
[10] INFRARED INTENSITIES AND BOND MOMENTS IN FORMALDEHYDE
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (03) : 487 - 491

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