Articles dans des revues avec comité de lecture (41)
  1. 23. Cauet, E., & Jacquemin, D. (2012). A theoretical Spectroscopy investigation of oxosumanenes. Chemical physics letters, 519-520, 49-53.
  2. 24. Cauet, E., Carette, T., Lauzin, C., Li, J., Loreau, J., Delsaut, M., Nazé, C., Verdebout, S., Vranckx, S., Godefroid, M., Liévin, J., & Vaeck, N. (2012). From atoms to biomolecules: a fruitful perspective. Theoretical Chemistry accounts, 131, 1254. doi:10.1007/s00214-012-1254-3
  3. 25. Lauzin, C., Cauet, E., Demaison, J. F., Herman, M., & Liévin, J. (2012). Accurate ground-state potential energy surfaces of the C2H2–Kr and C2H2–Xe van der Waals complexes. Molecular Physics, 110, 2751-2760. doi:10.1080/00268976.2012.713524
  4. 26. Cauet, E., Valiev, M., Weare, J., & Liévin, J. (2012). Quantum mechanical calculations related to ionization and charge transfer in DNA. Journal of physics. Conference series, 373, 012003. doi:10.1088/1742-6596/373/1/012003
  5. 27. Fulton, J., Bylaska, E., Bogatko, S., Balasubramanian, M., Cauet, E., Schenter, G., & Weare, J. (2012). Near quantitative agreement of model free DFT-MD predictions with XAFS observations of the hydration structure of highly charged transition metal ions. Journal of Physical Chemistry Letters, 3, 2588-2593.
  6. 28. Cauet, E., Bogatko, S., Bylaska, E., & Weare, J. (2012). Ion association in AlCl3 aqueous solutions from Constrained First Principles Molecular Dynamics. Inorganic chemistry, 51, 10856-10869.
  7. 29. Bogatko, S., Cauet, E., & Geerlings, P. (2011). Influence of F - coordination on Al 3+ hydrolysis reactions from density functional theory calculations. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 115(14), 6910-6921. doi:10.1021/jp112076r
  8. 30. Rooman, M., Cauet, E., Liévin, J., & Wintjens, R. (2011). Conformations consistent with charge migration observed in DNA and RNA X-ray structures. Journal of biomolecular structure & dynamics, 28, 949-954.
  9. 31. Bogatko, S., Cauet, E., & Geerlings, P. (2011). The influence of F- coordination on Al3+ hydrolysis reactions from Density Functional Theory. The Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 115, 6910-6921.
  10. 32. Cauet, E. (2011). Unique hole-trapping property of the human telomere sequence. Journal of biomolecular structure & dynamics, 29, 557-561.
  11. 33. Cauet, E., Bogatko, S., Mugeniwabagara, E., Fusaro, L., Kirsch-De Mesmaeker, A., Luhmer, M., & Vaeck, N. (2010). Density functional theory interpretation of the 1H photo-chemically induced dynamic nuclear polarization enhancements characterizing photoreduced polyazaaromatic Ru(II) coordination complexes. Inorganic chemistry, 49(17), 7826-7831. doi:10.1021/ic100636j
  12. 34. Cauet, E., Valiev, M., & Weare, J. (2010). Vertical Ionization Potentials of Nucleobases in a Fully Solvated DNA Environment. Journal of Physical Chemistry B, 114, 5886-5894.
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