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Updated: Feb 20, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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光学的に活性な欠陥における黄・ライス因子の記述として結合特性

Fatimah Habis1,2, Yuanxi Wang1

  • 1Department of Physics, University of North Texas, Denton, Texas 76207, United States.

The journal of physical chemistry letters
|February 19, 2026
PubMed
まとめ

電子-フォノン結合 (黄・ライス因子) の欠陥を効率的に推定するために,新しい軌道ベースの記述器を開発しました. この方法は,量子ビットや量子エミッターなどの量子アプリケーションの計算を簡素化します.

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