Explaining crystallization preferences of two polyphenolic diastereoisomers by crystal structure prediction-Reference-Cited by-同舟云学术

Explaining crystallization preferences of two polyphenolic diastereoisomers by crystal structure prediction

Published:2019 Issue:13 Volume:21 Page:2067-2079
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Dudek Marta K.¹²³⁴⁵^ORCID,Day Graeme M.¹²³⁴^ORCID

Affiliation:

1. Computational Systems Chemistry

2. School of Chemistry

3. University of Southampton

4. UK

5. Center of Molecular and Macromolecular Studies PAS

Abstract

Crystal structure prediction is used to understand the differences in crystallization of catechin and epicatechin, and to explore the predictability of solvate formation.

Funder

Ministerstwo Nauki i Szkolnictwa Wyższego

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CE/C8CE01783B

Reference38 articles.

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5. Molecule VI, a Benchmark Crystal-Structure-Prediction Sulfonimide: Are Its Polymorphs Predictable?

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