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Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties.
Prampolini, Giacomo; Andersen, Amity; Poulter, Benjamin I; Khalil, Munira; Govind, Niranjan; Biasin, Elisa; Pastore, Mariachiara.
Afiliación
  • Prampolini G; Area della Ricerca, Istituto di Chimica dei Composti OrganoMetallici (ICCOM-CNR), Via G. Moruzzi 1, Pisa I-56124, Italy.
  • Andersen A; Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory Richland, Richland, Washington 99354, United States.
  • Poulter BI; Department of Chemistry, University of Washington Seattle, Seattle, Washington 98195, United States.
  • Khalil M; Department of Chemistry, University of Washington Seattle, Seattle, Washington 98195, United States.
  • Govind N; Department of Chemistry, University of Washington Seattle, Seattle, Washington 98195, United States.
  • Biasin E; Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory Richland, Richland, Washington 99352, United States.
  • Pastore M; Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory Richland, Richland, Washington 99352, United States.
J Chem Theory Comput ; 20(3): 1306-1323, 2024 Feb 13.
Article en En | MEDLINE | ID: mdl-38086742
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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2024 Tipo del documento: Article País de afiliación: Italia
Texto completo
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2024 Tipo del documento: Article País de afiliación: Italia