Systematic Finite-Temperature Reduction of Crystal Energy Landscapes-Reference-Cited by-同舟云学术

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Systematic Finite-Temperature Reduction of Crystal Energy Landscapes

Published:2020-09-09 Issue:10 Volume:20 Page:6847-6862
ISSN:1528-7483
Container-title:Crystal Growth & Design
language:en
Short-container-title:Crystal Growth & Design

Author:

Francia Nicholas F.¹^ORCID,Price Louise S.²^ORCID,Nyman Jonas³⁴^ORCID,Price Sarah L.²^ORCID,Salvalaglio Matteo¹^ORCID

Affiliation:

1. Thomas Young Centre and Department of Chemical Engineering, University College London, London WC1E 7JE, U.K.

2. Department of Chemistry, University College London, London WC1H 0AJ, U.K.

3. Small Molecule Design & Development, Eli Lilly and Company, Indianapolis, Indiana 46285, United States

4. Holly Chemistry, Hangarvägen 13, S-69135 Karlskoga, Sweden

Funder

Eli Lilly and Company

Publisher

American Chemical Society (ACS)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.cgd.0c00918

Reference89 articles.

1. Why don't we find more polymorphs?

2. Report on the sixth blind test of organic crystal structure prediction methods

3. The potential of computed crystal energy landscapes to aid solid-form development

4. Computational polymorph screening reveals late-appearing and poorly-soluble form of rotigotine

5. Accurate force fields and methods for modelling organic molecular crystals at finite temperatures

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