Machine learning for the structure–energy–property landscapes of molecular crystals

F Musil, S De, J Yang, JE Campbell, GM Day… - Chemical …, 2018 - pubs.rsc.org
Molecular crystals play an important role in several fields of science and technology. They
frequently crystallize in different polymorphs with substantially different physical properties …

Making crystals from crystals: a green route to crystal engineering and polymorphism

D Braga, F Grepioni - Chemical Communications, 2005 - pubs.rsc.org
Supramolecular reactions between crystalline materials as well as reactions between a
crystalline material and a vapour can be used to generate new crystalline substances …

Crystal engineering: solid state supramolecular synthesis

GR Desiraju - Current Opinion in Solid State and Materials Science, 1997 - Elsevier
Crystal structures are built with intermolecular interactions and in this context, there has
been a new awareness of the softer, more polarizable variety of hydrogen bonding …

Crystal structure and prediction

TS Thakur, R Dubey, GR Desiraju - Annual Review of Physical …, 2015 - annualreviews.org
The notion of structure is central to the subject of chemistry. This review traces the
development of the idea of crystal structure since the time when a crystal structure could be …

Crystal engineering of topochemical solid state reactions

K Biradha, R Santra - Chemical Society Reviews, 2013 - pubs.rsc.org
Solid state reactions offer a unique opportunity for synthesizing complex molecules with
amazing regio-and stereo-specificity otherwise difficult to synthesize by conventional …

Intermolecular interactions in molecular crystals: what's in a name?

AJ Edwards, CF Mackenzie, PR Spackman… - Faraday …, 2017 - pubs.rsc.org
Structure–property relationships are the key to modern crystal engineering, and for
molecular crystals this requires both a thorough understanding of intermolecular …

[引用][C] Crystal engineering of hydrogen-bonded assemblies-a progress report

CB Aakeröy, AM Beatty - Australian journal of chemistry, 2001 - CSIRO Publishing
How do we build a crystal? The field of crystal engineering, a sub-discipline of
supramolecular chemistry, concerns the construction of crystalline materials from molecules …

Acid··· Amide supramolecular synthon in cocrystals: from spectroscopic detection to property engineering

S Saha, GR Desiraju - Journal of the American Chemical Society, 2018 - ACS Publications
The acid··· amide dimer heterosynthon in cocrystals of aromatic acids and primary amides is
identified by marker peaks in the IR spectra that are characteristic of individual N–H··· O and …

From molecules to crystal engineering: supramolecular isomerism and polymorphism in network solids

B Moulton, MJ Zaworotko - Chemical reviews, 2001 - ACS Publications
Whereas single-crystal X-ray crystallography has represented an active area of research
since shortly after the discovery of X-rays, the subjects of crystal design and crystal …

A major advance in crystal structure prediction

MA Neumann, FJJ Leusen… - Angewandte Chemie …, 2008 - Wiley Online Library
The goal of predicting the crystal structure of an organic molecule from its molecular
structure alone is of considerable industrial importance.[1] The task is complicated, owing to …