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

Margraf J, Hennemann M, Meyer B, Clark T (2015)

Publication Status: Published

Publication Type: Journal article

Publication year: 2015

Journal

Journal of Molecular Modeling Springer Verlag (Germany)

Publisher: Springer Verlag (Germany)

Book Volume: 21

Journal Issue: 6

DOI: 10.1007/s00894-015-2692-3

Abstract

No abstract available for this article

Authors with CRIS profile

Johannes Margraf Lehrstuhl für Theoretische Chemie Matthias Hennemann Computer-Chemie-Centrum Bernd Meyer Professur für Computational Chemistry Timothy Clark Computer-Chemie-Centrum

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials

How to cite

APA:

Margraf, J., Hennemann, M., Meyer, B., & Clark, T. (2015). EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions. Journal of Molecular Modeling, 21(6). https://doi.org/10.1007/s00894-015-2692-3

MLA:

Margraf, Johannes, et al. "EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions." Journal of Molecular Modeling 21.6 (2015).

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