Crystallochemistry laboratory

Faculty of Chemistry, University of Warsaw

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Prashant Kumar - Publications

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Prashant Kumar
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Publications:

1. Bojarowski, S. A., Kumar, P. and Dominiak, P. M. (2016), A Universal and Straightforward Approach to Include Penetration Effects in Electrostatic Interaction Energy Estimation. ChemPhysChem. doi:10.1002/cphc.201600390

2. Kumar P., Bojarowski S. A.,  Jarzembska K. N., Domagała S., Vanommeslaeghe K., MacKerell A. D., Dominiak P. M.  A comparative study of transferable aspherical pseudoatom databank and classical force fields for predicting electrostatic interactions in molecular dimers.  J. Chem. Theory Comput. 2014, 10(4), pp 1652-1664.  

 

 



Last Updated on Monday, 11 July 2016 11:46  
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