title: Molecular Modeling of Geometries, Charge Distributions, and Binding Energies of Small, Druglike Molecules Containing Nitrogen Heterocycles and Exocyclic Amino Groups in the Gas Phase and Aqueous Solution.
authors.forename: Brian R
authors.initials: BR
authors.lastname: White
authors.forename: Carston R
authors.initials: CR
authors.lastname: Wagner
authors.forename: Donald G
authors.initials: DG
authors.lastname: Truhlar
authors.forename: Elizabeth A
authors.initials: EA
authors.lastname: Amin