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Predicting pK(a) values of substituted phenols from atomic charges: comparison of different quantum mechanical methods and charge distribution schemes |
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| Authors: | Svobodová Vareková Radka Geidl Stanislav Ionescu Crina-Maria Skrehota Ondrej Kudera Michal Sehnal David Bouchal Tomás Abagyan Ruben Huber Heinrich J Koca Jaroslav |
| Affiliation: | National Centre for Biomolecular Research, Faculty of Science and CEITEC - Central European Institute of Technology, Masaryk University Brno, Brno-Bohunice, Czech Republic. |
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| 本文献已被 PubMed 等数据库收录！ | |