Selected Representative Publications.
P. Liu, R. W. Jordan, S. P. Kibbee, J. D. Goddard, and W. Tam. “Remote Substituent Effects in Ruthenium-Catalyzed [2+2] Cycloadditions: An Experimental and Theoretical Study.: J. Org. Chem. 71, 3793 (2006).
A. Ren and J. D. Goddard. “Predictions of the Electronic Absorption and Emission Spectra of Luciferin and Oxyluciferins including Solvation Effects.” J. Photochem. Photobiol. B: Biology 81, 163 (2005).
P. R. Khoury, J. D. Goddard, R. Jordan, and W. Tam. “Ruthenium catalyzed [2+2] Cycloadditions Between 7-Substituted Norbornadienes and Alkynes: An Experimental and Theoretical Study.” J. Org. Chem. 69, 8467 (2004).
P. R. Khoury, J. D. Goddard, and W. Tam. “Ring strain energies: substituted rings, norbornanes, norbornenes and norbornadienes.” Tetrahedron 60, 8103 (2004).
R. C. Mawhinney and J.D. Goddard. “Lowest Singlet and Triplet Potential Energy Surfaces of S2N2.” Inorg. Chem. 42, 6323 (2003).
G. Orlova, J. D. Goddard, and L.Yu. Brovko. “A Theoretical Study of the Amazing Firefly Bioluminescence: The Formation and Structures of the Light Emitters.” J. Am. Chem. Soc. 125, 6962 (2003).
G. Orlova and J.D. Goddard. “ Practical failures from the inclusion of exact exchange: How much exact exchange is appropriate ?” Mol.Phys. 100, 483 (2002).(Special Issue in Honor of Prof. E.R. Davidson.)
G. Orlova and J.D. Goddard. “ Competition between Diradical Stepwise and Concerted Mechanisms in Chalcogeno Diels-Alder Reactions: A Density Functional Study.” J. Org. Chem. 66, 4026 (2001).