James Tyrrell

Department of Chemistry and Biochemistry
Southern Illinois University at Carbondale

To request reprints, copy the citations from the list below into an e-mail note and send to tyrrell@chem.siu.edu . Don't forget to include your mailing address.

Recent Publications (since 1990)

Tyrrell, J., "Ab Initio Calculations of the Equilibrium Geometries and Vibrational Frequencies of Carbonyl Cyanide, Thiocarbonyl Cyanide, and Thiopropynal", Journal of Molecular Structure(Theochem), 231, 87-94(1991).

Tyrrell, J., "Internal Rotation in some Dicarbonyls-Basis Set Dependence", Journal of Molecular Structure(Theochem), 258, 41-52(1992).

Tyrrell, J., and Lewis-Bevan, W., "Transition State Geometries, and Intrinsic Reaction Pathways for a series of Formyl and Thioformyl Compounds", Journal of Physical Chemistry, 96,1691-6(1992)

Lewis-Bevan, W., Gaston, R. D., Tyrrell, J., Stork, W. D., and Salmon, G. L., "Formyl Cyanide: A Stable Species. Experimental and Theoretical Studies", Journal of the American Chemical Society, 114, 1933-38(1992).

Tyrrell, J., "A Reply to the comment by M. Dakkouri on the paper by J. Tyrrell, J. Mol. Struct. (Theochem), 231 (1991) 87", Journal of Molecular Structure(Theochem), 258, 403-404(1992).

J. Tyrrell, "Multiple Internal Rotation in Oxalic Acid", Journal of Molecular Structure (Theochem), 258, 389-398 (1992).

J. Tyrrell, W. Lewis-Bevan, and D. Kristiansen, "Equilibrium Geometries, Internal Rotation Potentials and Spectroscopic Constants in NH₂OH, NH₂OF, NHFOH, and NHFOF", Journal of Physical Chemistry, 97, 12768-12772 (1993).

Y. Fu, W. Lewis-Bevan, and J. Tyrrell, "An ab Initio Investigation of the Reaction of Trifluoromethane with the Hydroxyl Radical", Journal of Physical Chemistry, 99, 630-633 (1995).

Y. Fu, and J. Tyrrell, "Ab Initio Investigation of the Structure, Vibrational Frequencies, and Intensities of HN_nH, HN_nF, and FN_nF (n=3,4)", Journal of Physical Chemistry, 99, 1909-1912 (1995).

J. Tyrrell, T. Kar, and L. J. Bartolotti, "A Study of the Mechanism of the Reaction between Ozone and the Chlorine Atom Using Density Functional Theory", Journal of Physical Chemistry, 105, 4065-4070 (2001).