- Title
- An optimization model of molecular voronoi cells in computational chemistry
- Creator
- Zhang, Jiapu
- Date
- 2015
- Type
- Text; Journal article
- Identifier
- http://researchonline.federation.edu.au/vital/access/HandleResolver/1959.17/169253
- Identifier
- vital:14006
- Identifier
-
https://doi.org/10.4172/2167-0501.1000179
- Identifier
- ISSN: 2167-0501
- Abstract
- In computational chemistry or crystallography, we always meet the problem that requires distributing N particles in one square unit with the minimal neighbor distance. Sometimes this problem is with special or complex constraints. This short article will build a molecular optimization model for the problem, and then will show one example of the application of this model.
- Publisher
- OMICS International for Nigerian Society of Biochemistry and Molecular Biology
- Relation
- Biochemistry & Pharmacology: Open Access Vol. 4, no. 4 (2015), p.1-2
- Rights
- Copyright © 2015 Zhang J. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
- Rights
- Open Access
- Rights
- https://creativecommons.org/licenses/by/4.0/
- Rights
- This metadata is freely available under a CCO license
- Subject
- Computational chemistry; Crystal molecular structure; Optimization model; Optimized Voronoi cells distribution
- Full Text
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