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

Journal of Molecular Modeling

Volumn 21, Issue 6, 2015, Pages

  Margraf, Johannes T ^a   Hennemann, Matthias ^a   Meyer, Bernd ^a   Clark, Timothy ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CALCULATION; DENSITY; DRUG DESIGN; IONIZATION; LIPID BILAYER; MOLECULAR DYNAMICS; MOLECULAR ORBITAL THEORY; MONTE CARLO METHOD; PRIORITY JOURNAL; STATIC ELECTRICITY; THEORY;

EID: 84929628849     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-015-2692-3     Document Type: Article

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