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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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ハーケルの理論と光学活動

Veronica L Murphy1, Bart Kahr1

  • 1Department of Chemistry and Molecular Design Institute, New York University, 100 Washington Square East, Silver Center, Room 1001, New York, New York 10003, United States.

Journal of the American Chemical Society
|March 24, 2015
PubMed
まとめ

この研究では,結合炭化水素の光学活動を調査し,π → π* 移行が不共鳴光学活動を十分に説明することを発見しました. シンプルなHückelモデルは,分子光学特性に対する直感的な洞察を提供します.

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