Kirchhoff atomic charges fitted to multipole moments: Implementation for a virtual screening system

Olexander Yakovenko, Alexander A. Oliferenko, Volodymyr G. Bdzhola, Vladimir A. Palyulin, Nikolai S. Zefirov. Kirchhoff atomic charges fitted to multipole moments: Implementation for a virtual screening system. Journal of Computational Chemistry, 29(8):1332-1343, 2008. [doi]

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