Ogre: A Python package for molecular crystal surface generation with applications to surface energy and crystal habit prediction.

Yang, Shuyang; Bier, Imanuel; Wen, Wen; Zhan, Jiawei; Moayedpour, Saeed; Marom, Noa

Yang, Shuyang; Bier, Imanuel; Wen, Wen; Zhan, Jiawei; Moayedpour, Saeed; Marom, Noa.

Afiliación

Yang S; Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, USA.
Bier I; Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, USA.
Wen W; Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, USA.
Zhan J; School of Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.
Moayedpour S; Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, USA.
Marom N; Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, USA.

J Chem Phys ; 152(24): 244122, 2020 Jun 28.

Article en En | MEDLINE | ID: mdl-32610993

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

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