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

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.

Detalles Bibliográficos
Autores principales: Margraf, Johannes T., Hennemann, Matthias, Meyer, Bernd, Clark, Timothy
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2015
Materias:
Software Report
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4435633/
https://www.ncbi.nlm.nih.gov/pubmed/25983105
http://dx.doi.org/10.1007/s00894-015-2692-3
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author Margraf, Johannes T.
Hennemann, Matthias
Meyer, Bernd
Clark, Timothy
author_facet Margraf, Johannes T.
Hennemann, Matthias
Meyer, Bernd
Clark, Timothy
author_sort Margraf, Johannes T.
collection PubMed
description 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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spelling pubmed-44356332015-05-22 EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions Margraf, Johannes T. Hennemann, Matthias Meyer, Bernd Clark, Timothy J Mol Model Software Report 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. Springer Berlin Heidelberg 2015-05-17 2015 /pmc/articles/PMC4435633/ /pubmed/25983105 http://dx.doi.org/10.1007/s00894-015-2692-3 Text en © The Author(s) 2015 Open Access This article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
spellingShingle Software Report
Margraf, Johannes T.
Hennemann, Matthias
Meyer, Bernd
Clark, Timothy
EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions
title EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions
title_full EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions
title_fullStr EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions
title_full_unstemmed EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions
title_short EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions
title_sort empire: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions
topic Software Report
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4435633/
https://www.ncbi.nlm.nih.gov/pubmed/25983105
http://dx.doi.org/10.1007/s00894-015-2692-3
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AT hennemannmatthias empireahighlyparallelsemiempiricalmolecularorbitalprogram2periodicboundaryconditions
AT meyerbernd empireahighlyparallelsemiempiricalmolecularorbitalprogram2periodicboundaryconditions
AT clarktimothy empireahighlyparallelsemiempiricalmolecularorbitalprogram2periodicboundaryconditions

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