¹H NMR: Interpreting Distorted and Overlapping Signals
Resonance and Hybrid Structures
Double Resonance Techniques: Overview
Electron Paramagnetic Resonance (EPR) Spectroscopy: Organic Radicals
π Electron Effects on Chemical Shift: Overview
¹H NMR: Long-Range Coupling
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Cansu Utku1, Garrette Pauley Paran1, Thomas-C Jagau1
1Department of Chemistry, KU Leuven, Belgium.
这项研究引入了一种新的计算方法,即复杂能量RI-CC2,用于准确计算分子中的电子共振. 与现有技术相比,该方法与临时离子的实验数据有了更好的一致性.
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08:04Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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结论: