Diabat method for polymorph free energies: Extension to molecular crystals.

Kamat, Kartik; Guo, Rui; Reutzel-Edens, Susan M; Price, Sarah L; Peters, Baron

Kamat, Kartik; Guo, Rui; Reutzel-Edens, Susan M; Price, Sarah L; Peters, Baron.

Afiliación

Kamat K; Department of Chemical Engineering, University of California-Santa Barbara, Santa Barbara, California 93106, USA.
Guo R; Department of Chemistry, University College London, London WC1H 0AJ, United Kingdom.
Reutzel-Edens SM; Small Molecule Design and Development, Eli Lilly and Company, Indianapolis, Indiana 46285, USA.
Price SL; Department of Chemistry, University College London, London WC1H 0AJ, United Kingdom.
Peters B; Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.

J Chem Phys ; 153(24): 244105, 2020 Dec 28.

Article en En | MEDLINE | ID: mdl-33380078

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2020 Tipo del documento: Article País de afiliación: Estados Unidos

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