title: Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces.
abstract: Enhancements to the properties based on Hirshfeld surfaces enable quantitative comparisons between contributions to crystal packing from various types of intermolecular contacts.
authors.affiliation: School of Biomedical, Biomolecular & Chemical Sciences, University of Western Australia, Crawley, WA 6009, Australia. joshua.mckinnon@uwa.edu.au
authors.forename: Joshua J
authors.initials: JJ
authors.lastname: McKinnon
authors.forename: Dylan
authors.initials: D
authors.lastname: Jayatilaka
authors.forename: Mark A
authors.initials: MA
authors.lastname: Spackman
mesh_terms: D000082:Acetaminophen / Q000737:chemistry*; D003198:Computer Simulation; D003460:Crystallization; D006571:Heterocyclic Compounds / Q000737:chemistry*; D006860:Hydrogen Bonding; D057927:Hydrophobic and Hydrophilic Interactions; D008956:Models, Chemical; D008958:Models, Molecular; D019815:Oxalic Acid / Q000737:chemistry*; D011789:Quantum Theory; D013499:Surface Properties
chemical_list: D006571:Heterocyclic Compounds; D000082:Acetaminophen; D019815:Oxalic Acid; C063887:tetrathiafulvalene