IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
IR Spectroscopy: Molecular Vibration Overview
IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations
Bond Energies and Bond Lengths
IR Frequency Region: Alkyne and Nitrile Stretching
¹H NMR: Long-Range Coupling
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Sebastian Riis Thomsen1, Nicolai Machholdt Høyer1, Mads Greisen Højlund1
1Department of Chemistry, University of Aarhus, Aarhus C DK-8000, Denmark.
新的局部键拉伸 (LBS) 方法及其变体提供了改进的振动模式分析. 预测的LBS (pLBS) 和直角的,预测的LBS (opLBS) 显示了在光谱计算中更快的融合的希望.
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