Selected Publications of the Radom Group

  • Hydrogenation of Simple Aromatic Molecules: A Computational Study of the Mechanism. G. Zhong, B. Chan, L. Radom J. Am. Chem. Soc., 129, 924-933 (2007).
  • A Restricted-Open-Shell Complete-Basis-Set Model Chemistry. G. P. F. Wood, L. Radom, G. A. Petersson, E. C. Barnes, M. J. Frisch, J. A. Montgomery Jr. J. Chem. Phys., 125, 094106-1−094106-16 (2006).
  • Design of Effective Zeolite Catalysts for the Complete Hydrogenation of CO2. B. Chan, L. Radom J. Am. Chem. Soc., 128, 5322-5323 (2006).
  • Insights into the Hydrogen-Abstraction Reactions of Diol Dehydratase: Relevance to the Catalytic Mechanism and Suicide Inactivation. G. M. Sandala, D. M. Smith, M. L. Coote, B. T. Golding, L. Radom J. Am. Chem. Soc., 128, 3433-3444 (2006).
  • Transfer Hydrogenation between Ethane and Ethene: A Critical Assessment of Theoretical Procedures. D. J. Miller, D. M. Smith, B. Chan, L. Radom Mol. Phys., 104, 777-794 (2006).
  • On the Relationship between the Preferred Site of Hydrogen Bonding and Protonation. B. Chan, J. E. Del Bene, J. Elguero, L. Radom, J. Phys. Chem. A, 109, 5509-5517, (2005).
  • G3-RAD and G3X-RAD: Modified Gaussian-3 (G3) and Gaussian-3X (G3X) Procedures for Radical Thermochemistry. D.J. Henry, M.B. Sullivan and L. Radom, J. Chem. Phys., 118, 4849-4860 (2003).
  • Heats of Formation of Alkali Metal and Alkaline Earth Metal Oxides and Hydroxides: Surprisingly Demanding Targets for High-Level Ab Initio Procedures. M.B. Sullivan, M.A. Iron, P.C. Redfern, J.M.L. Martin, L.A. Curtiss and L. Radom, J. Phys. Chem. A, 107, 5617-5630 (2003).
  • Understanding the Mechanism of B12-Dependent Methylmalonyl-CoA Mutase: Partial Proton-Transfer in Action. D.M. Smith, B.T. Golding and L. Radom, J. Am. Chem. Soc., 121, 9388-9399 (1999).
  • The Planar Carbon Story. L. Radom and D.R. Rasmussen, Pure Appl. Chem., 70, 1977-1984 (1998).
  • Harmonic Vibrational Frequencies: An Evaluation of Hartree Fock, Møller-Plesset, Quadratic Configuration Interaction, Density Functional Theory and Semiempirical Scale Factors. A.P. Scott and L. Radom, J. Phys. Chem., 100, 16502 (1996).
  • Chemistry by Computer: A Theoretical Approach to Gas-Phase Ion Chemistry. L. Radom, Organic Mass Spectrom., 26, 359-373 (1991).
  • Ab Initio Molecular Orbital Theory. W.J. Hehre, L. Radom, P.v.R. Schleyer and J.A. Pople, Wiley, New York, pp 1-548 (1986).