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@proceedings{1139062,
author = {Raček, Tomáš and Svobodová Vařeková, Radka and Křenek, Aleš},
booktitle = {SVOČ 2013 v Opavě},
keywords = {Electronegativity equalization method; EEM; empirical charges; QM charges; parameterization; parallelization; optimization},
language = {eng},
title = {Advanced implementation of atomic charge calculation with electronegativity equalization},
year = {2013}
}
TY - CONF
ID - 1139062
AU - Raček, Tomáš - Svobodová Vařeková, Radka - Křenek, Aleš
PY - 2013
TI - Advanced implementation of atomic charge calculation with electronegativity equalization
KW - Electronegativity equalization method
KW - EEM
KW - empirical charges
KW - QM charges
KW - parameterization
KW - parallelization
KW - optimization
ER -
RAČEK, Tomáš, Radka SVOBODOVÁ VAŘEKOVÁ a Aleš KŘENEK. Advanced implementation of atomic charge calculation with electronegativity equalization. In \textit{SVOČ 2013 v Opavě}. 2013.
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