Machine learning for the structure–energy–property landscapes of molecular crystals
Molecular crystals play an important role in several fields of science and technology. They
frequently crystallize in different polymorphs with substantially different physical properties …
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 …
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 …
been a new awareness of the softer, more polarizable variety of hydrogen bonding …
Crystal structure and prediction
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 …
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 …
amazing regio-and stereo-specificity otherwise difficult to synthesize by conventional …
Intermolecular interactions in molecular crystals: what's in a name?
Structure–property relationships are the key to modern crystal engineering, and for
molecular crystals this requires both a thorough understanding of intermolecular …
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 …
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 …
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 …
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 …
structure alone is of considerable industrial importance.[1] The task is complicated, owing to …