Publications: 1995
174. Schlegel, H. B.;
Frisch, M. J.; Transformation between Cartesian and Pure Spherical Harmonic
Gaussians. Int. J. Quantum Chem. 1995, 54, 83-87.
175. Bach, R. D.;
Gonzalez, C.; Andrés, J. L.; Schlegel, H. B.; Kinetic Isotope Effects as a
Guide to
176. Schlegel,
H. B. Geometry optimization on potential energy surfaces. in Modern
Electronic Structure Theory Yarkony, D. R.; (ed.); World Scientific
177. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.;
Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.;
Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.;
Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B.
B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.;
Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox,
D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon,
M.; Gonzalez, C.; and Pople, J. A.;GAUSSIAN 94 Gaussian, Inc., Pittsburgh PA, 1995.
178. Chen,
W.; Schlegel, H. B.; Ab initio molecular orbital calculations of the mechanism
of oxidation of boron and aluminum monohalides. Chem. Phys. Lett. 1995,
241, 516-521.
179. Bach,
R. D.; Mintcheva,