Jmol による分子振動の表示     Presentation of Molecular Vibration by Using JSmol

イソヘキサン、2-メチルペンタン   Isohexane, 2-Methylpentane   C6H14

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Vibrational Spectra

Theoretical Vibrational Spectrum Calculated by B3LYP/6-31G* Method

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