EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions.

J Mol Model

Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany.

Published: June 2015

Unlabelled: ᅟ [Figure: see text]

Electronic Supplementary Material: The online version of this article (doi:10.1007/s00894-015-2692-3) contains supplementary material, which is available to authorized users.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4435633PMC
http://dx.doi.org/10.1007/s00894-015-2692-3DOI Listing

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