Infrared intensities in methyl chloride. III. Improvement of the anharmonic force field and the analysis of the overtone and combination band intensities.
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概要
- 論文の詳細を見る
A recently obtained anharmonic <I>ab initio</I> force field of methyl chloride has been improved by the method of "predicate observations" using the observed values of the spectroscopic constants. The newly obtained force field was used to make re-analysis of the absorption intensities of the binary overtone and combination bands for CH<SUB>3</SUB>Cl and CD<SUB>3</SUB>Cl. Contribution from the electrical anharmonicity to the band intensities was estimated and compared with the <I>ab initio</I> result.
- 公益社団法人 日本化学会の論文
著者
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Koga Yoshinori
National Chemical Laboratory for Industry
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Kondo Shigeo
National Chemical Laboratory for Industry
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Nakanaga Taisuke
National Chemical Laboratory for Industry, Tsukuba Research Center
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