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Publications from using NSCCS
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Publications from using the Service |
| T. P. M. Goumans, W. A. Brown, C. R. A. Catlow, J. Kästner and P. Sherwood, "An embedded cluster study of the formation of water on interstellar dust grains", Phys. Chem. Chem. Phys., 11, 5431-5436, 2009. |
| T. P. M. Goumans, C. R. A. Catlow and W. A. Brown, "Formation of H2 on an olivine surface: a computational study", Mon. Not. Royal Astron. Soc., 393, 1403-1407, 2009. |
| R. J. Plowright, M. J. Watkins, A. M. Gardner, C. D. Withers, T. G. Wright and W. H. Breckenridge, "Electronic spectroscopy of the Au-Xe complex", Phys. Chem. Chem. Phys., 11, 1539-1550, 2009. |
| R. J. Plowright, T. J. McDonnell, T. G. Wright and J. M. C. Plane, "Theoretical Study of Mg+-X and [X-Mg-Y](+) Complexes Important in the Chemistry of Ionospheric Magnesium (X, Y = H2O, CO2, N-2, O-2, and O)", J. Phys. Chem. A, 113, 9354-9364, 2009. |
| A. A. Buchachenko, T. G. Wright, E. P. F. Lee and L. A. Viehland, "Interaction Potentials, Spectroscopy, and Transport Properties of the Br+-RG Systems (RG = He-Ar)", J. Phys. Chem. A, 113, 14431-14438, 2009. |
| L. A. Viehland, B. R. Gray and T. G. Wright, "Interaction potentials, spectroscopy and transport properties of RG plus -He (RG=Ar-Rn)", Molec. Phys., 107, 2127-2139, 2009. |
| M. F. McGuirk, L. A. Viehland, E. P. F. Lee, W. H. Breckenridge, C. D. Withers, A. M. Gardner, R. J. Plowright, and T. G. Wright, "Theoretical study of Ban+-RG (RG=rare gas) complexes and transport of Ban+ through RG (n=1,2; RG=He-Rn)", J. Chem. Phys., 130, art. no. 194305, 2009. |
| L. Tahsini, M. Bagherzadeh, W. Nam and S. P. de Visser, "Fundamental Differences of Substrate Hydroxylation by High-Valent Iron(IV)-Oxo Models of Cytochrome P450", Inorg. Chem., 48, 6661-6669, 2009. |
| R. Latifi, M. Bagherzadeh and S. P. de Visser, "Origin of the Correlation of the Rate Constant of Substrate Hydroxylation by Nonheme Iron(IV)-oxo Complexes with the Bond-Dissociation Energy of the C-H Bond of the Substrate", Chem. Eur. J., 15, 6651-6662, 2009. |
| S. P. de Visser, L. Tahsini and W. Nam, "How Does the Axial Ligand of Cytochrome P450 Biomimetics Influence the Regioselectivity of Aliphatic versus Aromatic Hydroxylation?", Chem. Eur. J., 15, 5577-5587, 2009. |