GROW: A gradient-based optimization workflow for the automated development of molecular models
Document Type: | Article |
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Language: | English |
Author: | Marco Hülsmann, Thorsten Köddermann, Jadran Vrabec, Dirk Reith |
Parent Title (English): | Computer Physics Communications |
Volume: | 181 |
Issue: | 3 |
First Page: | 499 |
Last Page: | 513 |
ISSN: | 0010-4655 |
DOI: | https://doi.org/10.1016/j.cpc.2009.10.024 |
Publisher: | Elsevier |
Publication year: | 2010 |
Dewey Decimal Classification (DDC): | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
Entry in this database: | 2015/11/27 |