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  1. 1.   Ab initio electronic structure theory as an aid to understanding excited state hydrogen transfer in moderate to large systems
  2. Webb, S. P.
  3. Theoretical Chemistry Accounts. 2006, Aug; 116(1-3): 355-372.
  1. 2.   Structure, stability, and NMR properties of lower fullerenes C-38-C-50 and azafullerene C44N6
  2. Sun, G. Y.; Nicklaus, M. C.; Xie, R. H.
  3. Journal of Physical Chemistry A. 2005, MAY 26; 109(20): 4617-4622.
  1. 3.   Theoretical study of the low lying electronic states of oxoX(salen) (X = Mn, Mn-, Fe, and Cr-) complexes
  2. Ivanic, J.; Collins, J. R.; Burt, S. K.
  3. Journal of Physical Chemistry A. 2004 108(12): 2314-2323.
  1. 4.   The application of the effective fragment potential method to molecular anion solvation: A study of ten oxyanion-water clusters, A(-)(H2O)(1-4)
  2. Merrill, G. N.; Webb, S. P.
  3. Journal of Physical Chemistry A. 2004 108(5): 833-839.
  1. 5.   Direct configuration interaction and multiconfigurational self- consistent-field method for multiple active spaces with variable occupations. II. Application to oxoMn(salen) and N2O4
  2. Ivanic, J.
  3. Journal of Chemical Physics. 2003 119(18): 9377-9385.
  1. 6.   DYNGA: a general purpose QM-MM-MD program. I. Application to water
  2. Parker, C. L.; Ventura, O. N.; Burt, S. K.; Cachau, R. E.
  3. Molecular Physics. 2003 101(17): 2659-2668.
  1. 7.   Chemistry of the diazeniumdiolates - 1. Structural and spectral characteristics of the N(O)NO (-) functional group
  2. Keefer, L. K.; Flippen-Anderson, J. L.; George, C.; Shanklin, A. P.; Dunams, T. A.; Christodoulou, D.; Saavedra, J. E.; Sagan, E. S.; Bohle, D. S.
  3. Nitric Oxide-Biology and Chemistry. 2001 5(4): 377-394.
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