Maneesh Pyla1, Spiridoula Matsika1

  • 1Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, USA.

PubMed
まとめ

本研究では、電子駆動化学の理解に不可欠な分子形状共鳴の部分幅を計算するための中座標系アプローチを導入する。この手法は共鳴幅を正確に捉え、高次角運動量関数の重要性を明らかにする。

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IR Spectrum Peak Splitting: Symmetric vs Asymmetric Vibrations

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