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Publications from using the Service

M. Carravetta, O. G. Johannessen, M. H. Levitt, I. Heinmaa, R. Stern, A. Samoson, A. J. Horsewill, Y. Murata and K. Komatsu, "Cryogenic NMR Spectroscopy of Endohedral Hydrogen-Fullerene Complexes", J. Chem. Phys., 124, Art. No. 104507, 2006.

W. E. Boxford and C. E. H. Dessent, "Probing the intrinsic features and environmental stabilization of multiply charged anions", Phys. Chem. Chem. Phys., 8, 5151-5165, 2006.

C. J. Hammond, V. L. Ayles, D. E. Bergeron, K. L. Reid and T. G. Wright, "Progress in understanding the intramolecular vibrational redistribution dynamics in the S-1 state of para-fluorotoluene", J. Chem. Phys., 125, Art no. 124308, 2006.

E. P. F. Lee, J. M. Dyke, W. K. Chow, F. T. Chau and D. K. W. Mok, "DFT and ab initio calculations on the reaction between fluorine atoms and the fire suppressant, 1-H heptafluoropropane", Chem. Phys. Lett., 417, 256-260, 2006.

S. P. de Visser, "What External Perturbations Influence the Electronic Properties of Catalase Compound I?", Inorg. Chem., 45, 9551-9557, 2006.

S. P. de Visser, "Can the Replacement of a Single Atom in the Enzyme Horseradish Peroxidase Convert It Into a Monoxygenase? A Density Functional Study", J. Phys. Chem. B, 110, 20759-20761, 2006.

S. P. de Visser, "What factors influence the ratio of C-H Hydroxylation versus C=C epoxidation by a nonheme cytochrome P450 biomimetic?", J. Am. Chem. Soc., 128, 15809-15818, 2006.

F. G. N. Cloke, J. C. Green, N. Hazari, P. B. Hitchcock, P. Mountford, J. F. Nixon and D. J. Wilson, "Reactions of (BuC)-Bu-t P with cyclooctatetraene-supported titanium imido complexes", Organometallics, 25, 3688-3700, 2006.

J. L. Carreon-Macedo and J. N. Harvey, "Computational study of the energetics of Fe-3(CO)(4), Fe-1(CO)(4) and Fe-1( CO)(4)(L), L = Xe, CH4, H-2 and CO", Phys. Chem. Chem. Phys., 8, 93-100, 2006.

M. Stener, D. D. Tommaso, G. Fronzoni, P. Decleva and I. Powis, "Theoretical study on the circular dichroism in core and valence photoelectron angular distributions of camphor enantiomers", J. Chem. Phys., 124, Art No. 24326, 2006.

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