Modeling polymorphic molecular crystals with electronic structure theory

GJO Beran - Chemical reviews, 2016 - ACS Publications
Interest in molecular crystals has grown thanks to their relevance to pharmaceuticals,
organic semiconductor materials, foods, and many other applications. Electronic structure …

Disappearing polymorphs revisited

DK Bučar, RW Lancaster… - Angewandte Chemie …, 2015 - Wiley Online Library
Nearly twenty years ago, Dunitz and Bernstein described a selection of intriguing cases of
polymorphs that disappear. The inability to obtain a crystal form that has previously been …

Nanoindentation in crystal engineering: quantifying mechanical properties of molecular crystals

S Varughese, M Kiran, U Ramamurty… - Angewandte Chemie …, 2013 - Wiley Online Library
Nanoindentation is a technique for measuring the elastic modulus and hardness of small
amounts of materials. This method, which has been used extensively for characterizing …

Polymorphism− a perspective

J Bernstein - Crystal Growth & Design, 2011 - ACS Publications
Polymorphism − A Perspective | Crystal Growth & Design ACS ACS Publications C&EN CAS
Find my institution Log In Crystal Growth & Design ACS Publications. Most Trusted. Most Cited …

Pharmaceutical cocrystals, salts and polymorphs: Advanced characterization techniques

E Pindelska, A Sokal, W Kolodziejski - Advanced drug delivery reviews, 2017 - Elsevier
The main goal of a novel drug development is to obtain it with optimal physiochemical,
pharmaceutical and biological properties. Pharmaceutical companies and scientists modify …

Polymorphism, what it is and how to identify it: a systematic review

JP Brog, CL Chanez, A Crochet, KM Fromm - Rsc Advances, 2013 - pubs.rsc.org
This review on polymorphism is a personal, non-comprehensive view on the field of
polymorphism–a term which is often misused. Indeed, the discussion about polymorphism …

van der Waals dispersion interactions in molecular materials: beyond pairwise additivity

AM Reilly, A Tkatchenko - Chemical Science, 2015 - pubs.rsc.org
van der Waals (vdW) dispersion interactions are a key ingredient in the structure, stability,
and response properties of many molecular materials and essential for us to be able to …

Solvation and surface effects on polymorph stabilities at the nanoscale

AM Belenguer, GI Lampronti, AJ Cruz-Cabeza… - Chemical …, 2016 - pubs.rsc.org
We explore the effects of particle size and solvent environment on the thermodynamic
stability of two pairs of polymorphs subjected to ball-mill neat grinding (NG) and liquid …

Role of dispersion interactions in the polymorphism and entropic stabilization of the aspirin crystal

AM Reilly, A Tkatchenko - Physical review letters, 2014 - APS
Aspirin has been used and studied for over a century but has only recently been shown to
have an additional polymorphic form, known as form II. Since the two observed solid forms of …

[BUKU][B] Diffuse X-ray scattering and models of disorder

TR Welberry - 2022 - books.google.com
Diffuse X-ray scattering is a rich source of local structural information over and above that
obtained by conventional crystal structure determination. The main aim of the book is to …