THEORETICAL DETERMINATION OF MOLECULAR VIBRATION SPECTRUM OF METHYL FORMATE USING PCILO METHOD

被引：6

作者：

MARMAR, EB

POUCHAN, C

DARGELOS, A

CHAILLET, M

机构：

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1979年 / 57卷 / DEC期

关键词：

D O I：

10.1016/0022-2860(79)80245-8

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：189 / 200

页数：12

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[2] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .2. SCALE FACTOR METHOD FOR CALCULATION OF VIBRATIONAL FREQUENCIES FROM AB-INITIO FORCE CONSTANTS - ETHANE, PROPANE AND CYCLOPROPANE
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ALTONA, C
[J]. MOLECULAR PHYSICS, 1976, 31 (05) : 1377 - 1391
[3] APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .6. DIMETHYLETHER - GENERAL VALENCE FORCE-FIELD SCALED ON EXPERIMENTAL FREQUENCIES, IR AND RAMAN INTENSITIES
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[4] APPLICATION OF SELF-CONSISTENT-FIELD ABINITIO CALCULATIONS TO ORGANIC-MOLECULES .4. FORCE CONSTANTS OF PROPENE SCALED ON EXPERIMENTAL FREQUENCIES
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[5] BOTCHWINA P, 1974, CHEM PHYS LETT, V29, P580
[6] VIBRATIONAL-SPECTRUM AND VALENCE FORCE-FIELDS OF SOME COMPOUNDS PI METHYL-BENZOATE-CR(CO)3-NLN .1. METHYL BENZOATE
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[J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1975, 72 (04) : 522 - 526
[7] Cross P. C, 1955, MOL VIBRATIONS
[8] MICROWAVE SPECTRUM, BARRIER TO INTERNAL ROTATION, AND STRUCTURE OF METHYL FORMATE
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1959, 30 (06) : 1529 - 1536
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[J]. SPECTROCHIMICA ACTA, 1966, 22 (04): : 593 - +
[10] GROUND-STATES OF MOLECULES .36. CYCLOBUTADIENE PROBLEM AND MINDO-3 CALCULATIONS OF MOLECULAR VIBRATION FREQUENCIES
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (19) : 6174 - 6179

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