Valence Bond Theory and Hybridized Orbitals
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
Molecular Orbital Theory I
IR Spectroscopy: Molecular Vibration Overview
Molecular Orbital Theory II
IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations
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Lars Henrik Olsen1, Carolin König2, Ove Christiansen1
1Deparment of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark.
我们开发了振动合集群嵌入理论,用于计算大型系统中的响应特性. 这种新方法有效计算振动光谱的激发能量和过渡概率.
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结论: