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Updated: Sep 10, 2025

ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis
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フランク・コンドン因子の計算 原始内部座標で

Jia-Lin Chang1, Chieh Yang1, Mann-Ru Wu1

  • 1Department of Science Education and Application, National Taichung University of Education, Taichung, Taiwan 403514, Republic of China.

Journal of chemical theory and computation
|August 22, 2025
PubMed
まとめ

この研究は,任意の内部座標を用いたフランク・コンドン因子の計算のための新しい方法を導入します. この一般的なアプローチは,アセチレンやクロロフィールc2のような分子のスペクトルシミュレーションを簡素化します.

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