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Sławomir A. Bojarowski
Sławomir A. Bojarowski
PhD student University of Warsaw, Faculty of Chemistry
Zweryfikowany adres z chem.uw.edu.pl
Tytuł
Cytowane przez
Cytowane przez
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Extension of the transferable aspherical pseudoatom data bank for the comparison of molecular electrostatic potentials in structure–activity studies
P Kumar, B Gruza, SA Bojarowski, PM Dominiak
Acta Crystallographica Section A: Foundations and Advances 75 (2), 398-408, 2019
392019
A comparative study of transferable aspherical pseudoatom databank and classical force fields for predicting electrostatic interactions in molecular dimers
P Kumar, SA Bojarowski, KN Jarzembska, S Domagała, ...
Journal of Chemical Theory and Computation 10 (4), 1652-1664, 2014
312014
A universal and straightforward approach to include penetration effects in electrostatic interaction energy estimation
SA Bojarowski, P Kumar, PM Dominiak
ChemPhysChem 17 (16), 2455-2460, 2016
272016
Universal method for electrostatic interaction energies estimation with charge penetration and easily attainable point charges
SA Bojarowski, P Kumar, CM Wandtke, B Dittrich, PM Dominiak
Journal of Chemical Theory and Computation 14 (12), 6336-6345, 2018
162018
Interplay of point multipole moments and charge penetration for intermolecular electrostatic interaction energies from the University at Buffalo pseudoatom databank model of …
SA Bojarowski, P Kumar, PM Dominiak
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2017
162017
Application of simplified models of electron density for estimation of the electrostatic properties of molecules
S Bojarowski
2019
Inside Back Cover: A Universal and Straightforward Approach to Include Penetration Effects in Electrostatic Interaction Energy Estimation (ChemPhysChem 16/2016)
SA Bojarowski, P Kumar, PM Dominiak
ChemPhysChem 17 (16), 2607-2607, 2016
2016
Comparison between Electrostatic Interaction Energy Obtained from Aspherical Pseudoatom Databank and Classical Force Fields. The Case of Nucleic Basis Dimers
S Bojarowski, KN Jarzembska, PM Dominiak
European Charge Density Meeting ECDM-6, 89, 2012
2012
Zastosowanie nowych uproszczonych modeli gęstości elektronowych do oszacowywania właściwości elektrostatycznych cząsteczek
S Bojarowski, WC UW
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