Other Publications ( pdf file available by request)
  1. Flener-Lovitt, C., WOON, D. E., Dunning, T. H., Jr., & Girolami, G. S. 2010. "A DFT and ab initio study of metal-alkane interactions and the activation of carbon-hydrogen bonds." J. Phys. Chem. A 114, 1843-1851.
    10.1021/jp9058033   

  2. Chen, L., WOON, D. E., & Dunning, T. H., Jr. 2009. "Bonding in ClFn (n=1-7) molecules: Further insight into the electronic structure of hypervalent molecules and recoupled pair bonds." J. Phys. Chem. A 113, 12645-12654.
    10.1021/jp905064v   

  3. WOON, D. E. & Dunning, T. H., Jr. 2009. "The theory of hypervalency: Recoupled pair bonding in SFn (n=1-6)." J. Phys. Chem. A 113, 7915-7926.
    10.1021/jp901949b   

  4. WOON, D. E. & Dunning, T. H., Jr. 2009. "A comparison between polar covalent and hypervalent recoupled pair bonding in diatomic chalcogen halide species {O,S,Se} x {F,Cl,Br}." Mol. Phys. 107, 991-998.
    10.1080/00268970802712431   

  5. Arrington, C. A., Dunning, T. H., Jr., & WOON, D. E. 2007. "Electron affinity of NO." J. Phys. Chem. A 111, 11185-11188.
    10.1021/jp075093m   

  6. WOON, D. E. & Beck, D. R. 2001. "Ab initio electron affinities of AlH, SiH, GaH, and GeH, including characterization of bound excited states of SiH- and GeH-." Chem. Phys. Lett. 347, 255-260.
    10.1016/S0009-2614(01)01028-4   

  7. Ball, C. D., Mengel, M., De Lucia, F. C., & WOON, D. E. 1999. "Quantum scattering calculations for H2S-He between 1-600 K in comparison with pressure broadening, shift, and time resolved double resonance experiments." J. Chem. Phys. 111, 8893-8903.
    10.1063/1.480234   

  8. Wilson, A. K., WOON, D. E., Peterson, K. A., & Dunning, T. H., Jr. 1999. "Gaussian basis sets for correlated molecular calculations. IX. The atoms gallium through krypton." J. Chem. Phys. 110, 7667-7676.
    10.1063/1.478678   

  9. van Mourik, T., Wilson, A. K., Peterson, K. A., WOON, D. E., & Dunning, T. H., Jr. 1999. "The effect of basis set superposition error (BSSE) on the convergence of molecular properties calculated with the correlation consistent basis sets." Adv. Quant. Chem. 31, 105-133.

  10. WOON, D. E. & Loew, G. H. 1998. "An ab initio model system investigation of the proposed mechanism for the activation of peroxidases. Cooperative catalytic contributions from the ion and microsolvent water." J. Phys. Chem. A 102, 10380-10384.
    10.1021/jp9829896   

  11. WOON, D. E., Peterson, K. A., & Dunning, T. H., Jr. 1998. "Benchmark calculations with correlated molecular wave functions. XI. The weakly bound complexes Ar-H2 and Ar-HCl." J. Chem. Phys. 109, 2233-2241.
    10.1063/1.476510   

  12. Peterson, K. A., Wilson, A. K., WOON, D. E., & Dunning, T. H., Jr. 1997. "Benchmark calculations with correlated molecular wave functions. XII. Core correlation effects on humonuclear diatomics containing B-F." Theor. Chem. Acc. 97, 251-259.
    10.1007/s002140050259   

  13. WOON, D. E. 1997. "A correlated ab initio study of the A 2PI <- X 2SIGMA+ transition in MgCCH." Chem. Phys. Lett. 274, 299-305.
    10.1016/S0009-2614(97)00636-2   

  14. Derecskei-Kovacs, A., Marynick, D. S., & WOON, D. E. 1997. "Nonempirical wave functions for very large molecules. II. The PRDDO/M/FCP method." Int. J. Quantum Chem. 61, 67-76.
        10.1002/(SICI)1097-461X(1997)61:1<67::AID-QUA8>3.0.CO;2-2

  15. WOON, D. E. 1996. "A correlated ab initio study of the X 2A 1 and A 2E states of MgCH3." J. Chem. Phys. 104, 9495-9498.
    10.1063/1.471692   

  16. WOON, D. E., Dunning, T. H., Jr., & Peterson, K. A. 1996. "An ab initio investigation of the N2-HF complex: Accurate structure and energetics." J. Chem. Phys. 104, 5883-5891.
    10.1063/1.471320   

  17. WOON, D. E. & Dunning, T. H., Jr. 1995. "Gaussian basis sets for use in correlated molecular calculations. V. Core-valence sets for boron through neon." J. Chem. Phys. 103, 4572-4585.
    10.1063/1.470645   

  18. Feller, D., Glendening, E. D., WOON, D. E., & Feyereisen, M. W. 1995. "An extended basis set ab initio study of alkali metal cation-water clusters." J. Chem. Phys. 103, 3526-3541.
    10.1063/1.470237   

  19. WOON, D. E. & Dunning, T. H., Jr. 1995. "The pronounced effect of microsolvation on diatomic alkali halides: ab initio modeling of MX(H2O)n for M={Li,Na}, X={F,Cl}, and n=1-3." J. Am. Chem. Soc. 117, 1090-1097.
    10.1021/ja00108a027   

  20. WOON, D. E. & Dunning, T. H., Jr. 1994. "Benchmark calculations with correlated molecular wave functions. VI. Second row A2 and first row/second row AB diatomic molecules." J. Chem. Phys. 101, 8877-8893.
    10.1063/1.468080   

  21. WOON, D. E. 1994. "Ab initio modeling of (LiF)2 and (LiF)2(H2O)." J. Phys. Chem. 98, 8831-8833.
    10.1021/j100087a003   

  22. Peterson, K. A., WOON, D. E., & Dunning, T. H., Jr. 1994. "Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H + H2 -> H2 + H reaction." J. Chem. Phys. 100, 7410-7415.
    10.1063/1.466884   

  23. WOON, D. E. & Dunning, T. H., Jr. 1994. "Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties." J. Chem. Phys. 100, 2975-2988.
    10.1063/1.466439   

  24. WOON, D. E. 1994. "Benchmark calculations with correlated molecular wave functions. V. The determination of accurate ab initio intermolecular potentials for He2, Ne2, and Ar2." J. Chem. Phys. 100, 2838-2850.
    10.1063/1.466478   

  25. WOON, D. E. & Dunning, T. H., Jr. 1993. "Calculation of the electron affinities of the second row atoms: Al-Cl." J. Chem. Phys. 99, 3730-3737.
    10.1063/1.466148   

  26. WOON, D. E. & Dunning, T. H., Jr. 1993. "Benchmark calculations with correlated molecular wave functions. I. Multireference configuration interaction calculations for the second row diatomic hydrides." J. Chem. Phys. 99, 1914-1929.
    10.1063/1.465306   

  27. WOON, D. E. 1993. "Accurate modeling of intermolecular forces: A systematic Moller-Plesset study of the argon dimer using correlation consistent basis sets." Chem. Phys. Lett. 204, 29-35.
    10.1016/0009-2614(93)85601-J   

  28. WOON, D. E. & Dunning, T. H., Jr. 1993. "Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon." J. Chem. Phys. 98, 1358-1371.
    10.1063/1.464303   

  29. WOON, D. E., Marynick, D. S., & Estreicher, S. K. 1992. "Titanium and copper in Si: Barriers for diffusion and interactions with hydrogen." Phys. Rev. B 45, 13383-13389.
    10.1103/PhysRevB.45.13383   

  30. WOON, D. E., Zeng, P., & Beck, D. R. 1990. "Ab initio potentials and pressure second virial coefficients for CH4-H2O and CH4-H2S." J. Chem. Phys. 93, 7808-7812.
    10.1063/1.459362   

  31. WOON, D. E. & Beck, D. R. 1990. "Ab initio potentials for (H2S)2, including studies of effects from third-order many-body perturbation theory and three-body nonadditivity." J. Chem. Phys. 92, 3605-3609.
    10.1063/1.457868    10.1063/1.458610   

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Updated 18 February 2010