QSite

A high-performance QM/MM program

Below are selected publications from 2002; please check here to cite the use of QSite

  •   Baik, M.; Gherman, B. F.; Friesner, R. A., Lippard, S. J., "Hydroxylation of Methane by Non-Heme Diiron Enzymes: Molecular Orbital Analysis of the C-H Bond Activation by Reactive Intermediate Q," J. Am. Chem. Soc., 2002, 124, 14608-14615
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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