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The calculations were performed with the Gaussian 92 package.The pseudopotential and basis sets for Ti and bridging H, B, and O are those of LANL2DZ. Polarization functions were added to B, O, and the bridging hydride. The carbon and H of the cyclopentadienyl ring have been calculated with a minimal STO-3G basis set. Optimization was carried out at the MP2 level. Gaussian 92, Revision A; Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M.W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian Inc. Pittsburgh, PA, 1992.
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Volatron, F.8
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