Predicting p<i>K</i><sub>a</sub> Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes
Radka Svobodová Vařeková(Central European Institute of Technology), Jaroslav Koča(Central European Institute of Technology), Heinrich J. Huber(Max Planck Institute for Extraterrestrial Physics), Tomáš Bouchal(Central European Institute of Technology), David Sehnal(Central European Institute of Technology), Ondřej Skřehota(Central European Institute of Technology), Ruben Abagyan(Molsoft (United States)), Michal Kudera(Central European Institute of Technology), Crina-Maria Ionescu(Central European Institute of Technology), Stanislav Geidl(Central European Institute of Technology)
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