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European Pharmaceutical Journal
Volume 59 (2012): Issue 1 (June 2012)
Open Access
Comparison of different computational methods for water structure optimisation
R. Staník
R. Staník
,
P. Ballo
P. Ballo
and
I. Benkovský
I. Benkovský
| Aug 13, 2012
European Pharmaceutical Journal
Volume 59 (2012): Issue 1 (June 2012)
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Published Online:
Aug 13, 2012
Page range:
55 - 66
DOI:
https://doi.org/10.2478/v10219-012-0019-3
Keywords
water simulation
,
RDF
,
PM6
,
DFT
This content is open access.
R. Staník
Faculty of Pharmacy, Department of Pharmaceutical Analysis and Nuclear Pharmacy, Comenius University, Bratislava
P. Ballo
Department of Physics, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology
I. Benkovský
Faculty of Pharmacy, Department of Pharmaceutical Analysis and Nuclear Pharmacy, Comenius University, Bratislava