Publications: 1999

212 Perera, J.; Heeg, M. J.; Schlegel, H. B.; Winter, C. H.; Ruthenium Complexes Bearing h5-Pyrazolato Ligands. J. Am. Chem. Soc. 1999, 121, 4536-37.

213 Bolton, K.; Schlegel, H. B.; Hase, W. L.; Song, K.; An Ab Initio quasi-classical direct dynamics investigation of the F + C2H4 C2H3F + H Product Energy Distributions.Phys. Chem. Chem. Phys. 1999, 1, 999-1011.

214 Millam, J. M.; Bakken, V.; Chen, W.; Hase, W. L.; Schlegel, H. B.; Ab Initio Classical Trajectories on the Born-Oppenheimer Surface: Hessian-Based Integrators using Fifth Order Polynomial and Rational Function Fits. J. Chem. Phys.1999, 111, 3800-5.

215 Pfeifer, D.; Ximba, B. J.; Liable-Sands, L. M.; Rheingold, A. L.; Heeg, M. J.; Coleman, D. M.; Schlegel, H. B.; Kuech, T. F.; Winter, C. H.; Synthesis, Structure and Molecular Orbital Studies of Yttrium, Erbium and Lutetium Complexes Bearing h2-Pyrazolato Ligands: Development of a New Class of Precursors for Doping Semiconductors. Inorg. Chem. 1999, 38, 4539-48.

216 Wittbrodt, J. M.; Schlegel, H. B.; Structures, Energetics and Transition States of the Silicon-Phosphorus Compounds Si2PHn (n=7,5,3,1).An Ab Initio Molecular Orbital Study. J. Phys. Chem. A 1999, 103, 8547-58.

217 Bakken, V.; Millam, J. M.; Schlegel, H. B.; Ab Initio Classical Trajectories on the Born-Oppenheimer Surface: Updating Methods for Hessian-Based Integrators. J. Chem. Phys. 1999, 111, 8773-77.

218 Halls, M. D.; Schlegel, H. B.; Comparison of the Prediction of Raman intensities Using Electronic Structure Methods. J. Chem. Phys. 1999, 111, 8819-24.

219 Farkas, .; Schlegel, H. B.; Methods for optimizing large molecules. II Quadratic Search. J. Chem. Phys.1999, 111, 10806-14.