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アズーリンのブルー・コッパー・サイトに関するアブ・イニシオ量子化学の研究

M van Gastel1, J W A Coremans, H Sommerdijk

  • 1Department of Molecular Physics, Huygens Laboratory, Leiden University, P.O. Box 9504, 2300 RA, Leiden, The Netherlands.

Journal of the American Chemical Society
|February 28, 2002
PubMed
まとめ

この研究では,青銅タンパク質の電子構造を分析するために,高度な計算方法を使用しました. 発見は,電子のパラマグネティック共振パラメータを理解するために決定的な,単独で占有された分子軌道の非局所化された性質を明らかにします.

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