A comparative study of transferable theoretical aspherical pseudoatom data bank and classical force field in predicting the electrostatic interaction in molecular dimers

Authors :: Paulina M. Dominiak
Prashant Kumar
Sławomir Domagała
Katarzyna N. Jarzembska
Sławomir A. Bojarowski
Source :: Acta Crystallographica Section A Foundations of Crystallography. 69:s547-s548
Publication Year :: 2013
Publisher :: International Union of Crystallography (IUCr), 2013.

Subjects :: Classical mechanics
Structural Biology
Chemistry
Data bank
Nanotechnology
Force field (chemistry)
Electrostatic interaction

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