Molecular Orbital Interpretation of Infrared Absorption Frequencies. I. Selection of HMO Hetero-atomic Parameters
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概要
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The π-bond orders calculated by HMO method and infrared frequencies of aliphatic carbonyl compound were successfully correlated. Each parameter of hetero-atoms in this calculation was selected as applicable to the treatments of a variety of infrared spectra. Auxiliary inductive parameter was found to be necessary.
- 社団法人日本薬学会の論文
- 1970-10-25
著者
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上田 陽
Faculty of Pharmaceutical Sciences, Kyushu University
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小野 行雄
福山大学薬学部
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上田 陽
九州大学薬学部
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小野 行雄
Faculty of Pharmaceutical Sciences, Kyushu University
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上田 陽
Faculty Of Pharmaceutical Sciences Kyushu University
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