Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals

Volume: 51, Issue: 18, Pages: 3735 - 3738
Published: Feb 17, 2015
Abstract
We present an approach to understanding crystal packing via ‘energy frameworks’, that combines efficient calculation of accurate intermolecular interaction energies with a novel graphical representation of their magnitude. In this manner intriguing questions, such as why some crystals bend with an applied force while others break, and why one polymorph of a drug exhibits exceptional tabletability compared to others, can be addressed in terms of...
Paper Details
Title
Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals
Published Date
Feb 17, 2015
Volume
51
Issue
18
Pages
3735 - 3738
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