Publications: 1992

136.  Schlegel, H. B.; Following gradient extremal paths.Theor. Chim Acta,1992, 83, 15-20.

137.  Fox, G. L.; Schlegel, H. B.;An ab initio study of hydrogen atom abstractions from substituted methanes by substituted methyl radicals. J. Phys.Chem. 1992, 96, 298-302.

138.  Gonzalez, C.; Theisen, J.; Zhu, L.; Schlegel, H. B.; Hase, W. L.; Kinetics of the reaction between HO and HO2 on the triplet potential energy surface. J. Phys. Chem.1992, 96, 1767-1774.

139.  Ignacio, E. W.; Schlegel, H. B.;An ab initio MO study of the thermal decomposition of fluorinated monosilanes SiH4-nFn (n=0-4). J. Phys. Chem. 1992, 96, 1620-1625.

140.  Ignacio, E. W.; Schlegel, H. B.;An ab initio MO study of the thermal decomposition of fluorinated disilanes Si2H6-nFn (n=0, 1, 2). J. Phys. Chem. 1992, 96, 1758-1764.

141.  Chen, W.; Hase, W. L.; Schlegel, H. B.;Ab initio MO calculations of the thermochemistry of BX, AlX, OBX and OAlX (X = O, F, Cl) in "Gas-Phase Metal Reactions", Fontijn, A.; ed. (Elsevier, the Netherlands), 1992, 179-187.

142.  Shaik, S. S.; Schlegel, H. B.; Wolfe, S.; Theoretical Aspects of Physical Organic Chemistry: The SN2 Mechanism (Wiley, NewYork), 1992, 285 pages.

143.  Bach, R. D.; Andrés, J. L.; Owensby, A. L.; Schlegel, H. B.; McDouall, J. J. W.;Electronic structure and reactivity of dioxirane and carbonyl oxide. J. Am. Chem. Soc. 1992, 114, 7207-7217.

144.  Frisch, M. J.; Ragazos, I. N.; Robb, M. A.; Schlegel, H. B.; An evaluation of 3 direct MC-SCF procedures. Chem. Phys. Lett. 1992, 189, 524-8.

145.  Ignacio, E. W.; Schlegel, H. B.;An ab initio study of the structures, properties and heats of formation of fluoro- chloro- methanes and silanes, CH4-m-nFmCln and SiH4-m-nFmCln (m, n =0 - 4).J. Phys. Chem. 1992, 96, 5830-5837.

146.  Gonzalez, C.; Schlegel, H. B.; Atmospheric chemistry of Titan: An ab initio study of the reaction between nitrogen and methyl radical. J. Am. Chem. Soc., 1992, 114, 9118-9122.

147.  Schlegel, H. B.; A comparison of geometry optimization with mixed cartesian and internal coordinates. Int. J. Quantum Chem. Quantum Chem. Symp. 1992, 26, 243-252.

148.  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.; Andrés, 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 92, Gaussian, Inc., Pittsburgh, PA, 1992.