Lundberg09

M. Lundberg, T. Kawatsu, T. Vreven, M. J. Frisch, and K. Morokuma, “Transition States in the Protein Environment — ONIOM QM:MM Modeling of Isopenicillin N Synthesis,” J. Chem. Theory and Comput., 5 (2009) 222-34. DOI: 10.1021/ct800457g