関連する実験動画

Updated: Feb 20, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

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NO3の精密な糖尿病的潜在エネルギーモデルには,スピン・オービタ・カップリングを含む

Fabian Fritsch1, Wolfgang Eisfeld1

  • 1Theoretische Chemie, Universität Bielefeld, Postfach 100131, D-33501 Bielefeld, Germany.

The Journal of chemical physics
|February 18, 2026
PubMed
まとめ

スピン-軌道 (SO) カップリングは,分子量子力学にとって極めて重要です. この研究は,ナイトレート基 (NO3) のための新しい,幾何学に依存する糖尿病性SOとビブロン結合モデルを提示し,実験結果と一致しています.

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