Solubility curves and nucleation rates from molecular dynamics for polymorph prediction - moving beyond lattice energy minimization.

Parks, Conor; Koswara, Andy; DeVilbiss, Frank; Tung, Hsien-Hsin; Nere, Nandkishor K; Bordawekar, Shailendra; Nagy, Zoltan K; Ramkrishna, Doraiswami

Parks, Conor; Koswara, Andy; DeVilbiss, Frank; Tung, Hsien-Hsin; Nere, Nandkishor K; Bordawekar, Shailendra; Nagy, Zoltan K; Ramkrishna, Doraiswami.

Afiliación

Parks C; School of Chemical Engineering, Purdue University, 480 West Stadium Mall, West Lafayette, Indiana 47907, USA. ramkrish@ecn.purdue.edu.
Koswara A; School of Chemical Engineering, Purdue University, 480 West Stadium Mall, West Lafayette, Indiana 47907, USA. ramkrish@ecn.purdue.edu.
DeVilbiss F; School of Chemical Engineering, Purdue University, 480 West Stadium Mall, West Lafayette, Indiana 47907, USA. ramkrish@ecn.purdue.edu.
Tung HH; Process Research & Development, AbbVie, Inc., 1 North Waukegan Road, North Chicago, Illinois 60064, USA.
Nere NK; Process Research & Development, AbbVie, Inc., 1 North Waukegan Road, North Chicago, Illinois 60064, USA.
Bordawekar S; Process Research & Development, AbbVie, Inc., 1 North Waukegan Road, North Chicago, Illinois 60064, USA.
Nagy ZK; School of Chemical Engineering, Purdue University, 480 West Stadium Mall, West Lafayette, Indiana 47907, USA. ramkrish@ecn.purdue.edu.
Ramkrishna D; School of Chemical Engineering, Purdue University, 480 West Stadium Mall, West Lafayette, Indiana 47907, USA. ramkrish@ecn.purdue.edu.

Phys Chem Chem Phys ; 19(7): 5285-5295, 2017 Feb 15.

Article en En | MEDLINE | ID: mdl-28149994

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2017 Tipo del documento: Article País de afiliación: Estados Unidos

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