A Quantum-Guided Molecular Mechanics Force Field for the Ferrocene Scaffold.

Wahlers, Jessica; Rosales, Anthony R; Berkel, Neil; Forbes, Aaron; Helquist, Paul; Norrby, Per-Ola; Wiest, Olaf

Wahlers, Jessica; Rosales, Anthony R; Berkel, Neil; Forbes, Aaron; Helquist, Paul; Norrby, Per-Ola; Wiest, Olaf.

Afiliación

Wahlers J; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Rosales AR; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Berkel N; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Forbes A; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Helquist P; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Norrby PO; Data Science and Modelling, Pharmaceutical Sciences, R&D, AstraZeneca Gothenburg, Pepparedsleden 1, Mölndal SE-431 83, Sweden.
Wiest O; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.

J Org Chem ; 87(18): 12334-12341, 2022 09 16.

Article en En | MEDLINE | ID: mdl-36066498

Asunto(s)

Aminas; Compuestos Ferrosos; Compuestos Ferrosos/química; Ligandos; Metalocenos

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Compuestos Ferrosos / Aminas Tipo de estudio: Prognostic_studies Idioma: En Revista: J Org Chem Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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