NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges

Tomás Racek, Jana Pazúriková, Radka Svobodová Vareková, Stanislav Geidl, Ales Krenek, Francesco L. Falginella, Vladimír Horský, Václav Hejret, Jaroslav Koca. NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges. J. Cheminformatics, 8(1), 2016. [doi]

Abstract

Abstract is missing.