A Comparative Study of Transferable Aspherical Pseudoatom Databank and Classical Force Fields for Predicting Electrostatic Interactions in Molecular Dimers.

Kumar, Prashant

A Comparative Study of Transferable Aspherical Pseudoatom Databank and Classical Force Fields for Predicting Electrostatic Interactions in Molecular Dimers. [electronic resource] - Journal of chemical theory and computation Apr 2014 - 1652-1664 p. digital

Publication Type: Journal Article

1549-9626

10.1021/ct4011129 doi