title: AM1* parameters for gold.
abstract: We report the parameterization of AM1* for gold. The basis set for gold contains one set each of s-, p- and d-orbitals. AM1* parameters are now available for H, C, N, O and F (which use the original AM1 parameters), Al, Si, P, S, Cl, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Br, Zr, Mo, I and Au. The performance and typical errors of AM1* for gold are discussed.
authors.affiliation: Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052, Erlangen, Germany. Hakan.Kayi@chemie.uni-erlangen.de
authors.forename: Hakan
authors.initials: H
authors.lastname: Kayi
mesh_terms: D006046:Gold / Q000737:chemistry*
chemical_list: D006046:Gold