Title | Hybrid Ab Initio Empirical Molecular Dynamics: Combining the ONIOM Scheme with the Atom-centered Density Matrix Propagation (ADMP) Approach |
Publication Type | Journal Article |
Year of Publication | 2004 |
Authors | Rega, N, Iyengar, SS, Voth, GA, Schlegel, HB, Vreven, T, Frisch, MJ |
Journal | J. Phys. Chem. B |
Volume | 108 |
Pagination | 4210 - 4220 |
DOI | 10.1021/jp0370829 |