Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

Name: Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces
Keywords: Models, Molecular, Models, Chemical, Heterocyclic Compounds, Surface Properties, Oxalic Acid, Quantum Theory, Computer Simulation, Hydrogen Bonding, Crystallization, Hydrophobic and Hydrophilic Interactions

Joshua J, McKinnon; Dylan, Jayatilaka; Mark A, Spackman

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Chemical Communicati...arrow_drop_down

Chemical Communications

Article . 2007 . Peer-reviewed

Data sources: Crossref

Chemical Communications

Article . 2008

Data sources: Europe PubMed Central

https://dx.doi.org/10.1039/b70...

Article

Data sources: Microsoft Academic Graph

Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 2007 English Publisher:Royal Society of Chemistry (RSC)Journal:Chemical Communications (issn: 1359-7345, eissn: 1364-548X,

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Authors: Joshua J, McKinnon; Dylan, Jayatilaka; Mark A, Spackman;

doi: 10.1039/b704980c

pmid: 18217656

Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

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Abstract

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

Related Organizations

University of Western Australia
Australia

Keywords

Models, Molecular, Models, Chemical, Heterocyclic Compounds, Surface Properties, Oxalic Acid, Quantum Theory, Computer Simulation, Hydrogen Bonding, Crystallization, Hydrophobic and Hydrophilic Interactions, Acetaminophen

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