Supplementary Material for selected papers
Supplementary material, including stationary point structures, IRC's, etc, are available for some recent papers. The information may be in several different forms. Most include test files containing cartesian coordinates. Some may also include XMol style XYZ files which may have multiple frames to enable animations of IRC's etc. Also, MacMolPlt binary files may be included which have more information than either of the other forms (including energies and run information), but will require MacMolPlt to view them.
- Bode, B. M.; Day, P. N.; Gordon, M. S. "The Catalyzed Hydrosilation Reaction", J. Am. Chem. Soc. 1998, 120, 1552-1555.
- Petrich, J. W.; Gordon, M. S.; Cagle, M. "Structure and Energetics of Ground State Hypericin: Comparison of Experiment and Theory", J. Phys. Chem. in press.
- Nakano, H.; Barton, T. R.; Gordon, M.S. "The Ring Opening of Silacyclobutane" J. Am. Chem. Soc. in press.
- Bode BM, Gordon MS "The Catalyzed Hydrosilation Reaction: Substituent Effects", Theo. Chem. Acc. 1999, 102, 366.
- Structures and vibrational frequencies for NaCl(H2O)n complexes.
- Bode, B. M.; Gordon, M. S. "MacMolPlt: A Graphical User Interface for GAMESS", J. Molecular Graphics and Modelling, 1999, 16, 133-138