<script type="text/javascript">
<!--
document.write('<div id="oa_widget"></div>');
document.write('<script type="text/javascript" src="https://www.openaire.eu/index.php?option=com_openaire&view=widget&format=raw&projectId=undefined&type=result"></script>');
-->
</script>

COPY SCRIPT

For further information contact us at helpdesk@openaire.eu

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

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

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

doi: 10.1039/b704980c

pmid: 18217656

Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces

- Summary
- Subjects
- Metrics

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

Impact byBIP!

	citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	3K
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Top 0.01%
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Top 0.1%
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Top 1%

Found an issue? Give us feedback

Top 0.01%

Top 0.1%

Top 1%

Fields of Science

Fields of Science

Upload OA version

Are you the author? Do you have the OA version of this publication?

uploadUpload now!