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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 and Aleš KŘENEK. Advanced implementation of atomic charge calculation with electronegativity equalization. In \textit{SVOČ 2013 v Opavě}. 2013.
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