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Updated: Aug 9, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
08:55

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

Published on: June 7, 2018

(57) ヘムタンパク質モデルのFe Mössbauerイソマーシフトシステム:電子構造計算

Yong Zhang1, Junhong Mao, Eric Oldfield

  • 1Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, IL 61801, USA.

Journal of the American Chemical Society
|June 27, 2002
PubMed
まとめ

密度関数理論 (DFT) の計算は,様々な化学システムにおける鉄57モースバウアー同位体シフトを正確に予測します. この進歩により,様々なスピン状態における無機,有機金属,および金属タンパク質化合物の正確な特徴づけが可能です.

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