Publications: 1994

162.  Peng, C.; Schlegel, H. B.;Combining synchronous transit and quasi-newton methods for finding transition states. Israeli J. Chem. 1994, 33, 449-54.

163.  Bach, R. D.; Schlegel, H. B.; Andrés, J. L.; Sosa, C.; A model for the free radical and electrophilic hydroxylation of bicyclo[2.1.0]pentane. J. Am. Chem. Soc. 1994, 116, 3475-82.

164.  Schlegel, H. B.; Some thoughts on reaction path following. Faraday Discussions 1994, 90, 1569-74.

165.  Bach, R. D.; Su, M.-D.; Schlegel, H. B.; Oxidation of amines and sulphides with hydrogen peroxide and alkyl hydrogen peroxide.The nature of the oxygen transfer step. J. Am. Chem. Soc. 1994, 116, 5379-91.

166.  Darling, C. L.; Schlegel, H. B.; Dipole moments, polarizabilities and infrared intensities calculated with electric field dependent functions. J. Phys. Chem. 1994, 98, 5855-61.

167.  Darling, C. L.; Schlegel, H. B.; An ab initio study of the initial reactions in silane combustion:SiH3 + O2® products. J. Phys. Chem. 1994, 98, 8910-13.

168.  Schlegel, H. B.; Harris, S. J.; Thermochemistry of BHmCln calculated at the G-2 level of theory. J. Phys. Chem. 1994, 98, 11178-80.

169.  Chen, W.; Schlegel, H. B.; Evaluation of S2 for post-SCF methods and spin projection of UMPn energies. J. Chem. Phys. 1994, 101, 5957-68.

170.  Bearpark, M. J.; Robb, M. A.;Schlegel, H. B.; A direct method for the location of the lowest energy point on a potential surface crossing. Chem. Phys. Lett. 1994, 223, 269-74.

171.  Ayala, P. Y.; Schlegel, H. B.; An ab initio molecular orbital study of SiH2 +F2® SiH2F2Chem. Phys. Lett. 1994, 225, 410-15.

172.  Bach, R. D.; Andrés, J. L.; Winter, J. E.; Schlegel, H. B.; Ball, J. C.; Holubka, J. W.; A model for adhesion-producing interactions of zinc oxide surfaces with alcohols, amines and alkenes. J. Adhesion Sci. Technol. 1994, 8, 249-259.

173.  Chen, W.; Hase, W. L.; Schlegel, H. B.; Ab initio classical trajectory study of H2CO ® H2 + CO dissociation. Chem. Phys. Lett. 1994, 228, 436-442.