EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions
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| 024 | 7 | 0 | |a 10.1007/s00894-015-2692-3 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00894-015-2692-3 | ||
| 245 | 0 | 0 | |a EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions |h [Elektronische Daten] |c [Johannes Margraf, Matthias Hennemann, Bernd Meyer, Timothy Clark] |
| 520 | 3 | |a ᅟ Graphical Abstract ᅟ | |
| 540 | |a The Author(s), 2015 | ||
| 700 | 1 | |a Margraf |D Johannes |u Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany |4 aut | |
| 700 | 1 | |a Hennemann |D Matthias |u Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany |4 aut | |
| 700 | 1 | |a Meyer |D Bernd |u Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany |4 aut | |
| 700 | 1 | |a Clark |D Timothy |u Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany |4 aut | |
| 773 | 0 | |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/6(2015-06-01), 1-7 |x 1610-2940 |q 21:6<1 |1 2015 |2 21 |o 894 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00894-015-2692-3 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00894-015-2692-3 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Margraf |D Johannes |u Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Hennemann |D Matthias |u Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Meyer |D Bernd |u Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Clark |D Timothy |u Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/6(2015-06-01), 1-7 |x 1610-2940 |q 21:6<1 |1 2015 |2 21 |o 894 | ||