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Published in

American Association for the Advancement of Science, Science Advances, 1(5), 2019

DOI: 10.1126/sciadv.aau3338

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Reliable and practical computational description of molecular crystal polymorphs

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Quantum-mechanical calculations enable reliable computation of structures and stabilities for molecular crystal polymorphs.