Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

20073,388 citationsJournal Article

Authors

Joshua J. McKinnon · University of Western Australia

Dylan Jayatilaka · University of Western Australia

Mark A. Spackman · University of Western Australia

Abstract

Enhancements to the properties based on Hirshfeld surfaces enable quantitative comparisons between contributions to crystal packing from various types of intermolecular contacts.

Topics & Keywords

Crystallography and molecular interactions Crystallization and Solubility Studies Chemical Thermodynamics and Molecular Structure

Publication Details

Published in: Chemical Communications

DOI: 10.1039/b704980c

Field-Weighted Citation Impact: 19.17

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Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

Authors

Abstract

Topics & Keywords

Publication Details