Participations à des congrès et colloques internationaux (52)
  1. 15. Bogatko, S., Cauet, E., & Geerlings, P. (2011). Modeling the aqueous Al3+ system using Density Functional Theory. Paper session presented at Goldschmidt (2011: Prague, Czech Republic).
  2. 16. Cauet, E. (2011). Hole-Trapping Property of the Human Telomere Sequence. Paper session presented at ESF-LFUI Charge Transfer in Biosystems (2011: Obergurgl, Austria).
  3. 17. Cauet, E., Donald, W., O'Hair, R., & Feketeova, L. (2011). Structure and binding energies of the doubly charged zwitterionic betaine clusters. Poster présenté à la conférence BioPhysChem (2011: Wollongong, Australia).
  4. 18. Lauzin, C., Didriche, K., Foldes, T., Liévin, J., Cauet, E., & Herman, M. (2011). High resolution spectroscopy of C2H2-RG van der Waals complexes. Poster présenté à la conférence 22nd colloquium High Resolution Molecular Spectroscopy (2011: Dijon, France).
  5. 19. Cauet, E., Bogatko, S., Fusaro, L., Mugeniwabagara, E., Kirsch-De Mesmaeker, A., Luhmer, M., & Vaeck, N. (2011). DFT study of 1H Photo-CIDNP enhancements characterizing photo-reduced polyazaaromatic Ru(II) complexes. Poster présenté à la conférence 14th International Density Functional Theory Conference (2011: Athens, Greece).
  6. 20. Cauet, E., Valiev, M., Weare, J., & Liévin, J. (2011). Quantum mechanical calculations related to ionization and charge transfer in DNA. Paper session presented at Radiation damage of biomolecular systems: Nano-scale insights into Ion Beam Cancer Therapy (2011: Caen, France).
  7. 21. Cauet, E., Bogatko, S., Bylaska, E., & Weare, J. (2010). Ab initio molecular dynamics simulations of the hydration shells of highly charged metal ions in aqueous solutions. Paper session presented at Quantum Chemistry in Belgium (QCB9: 2010: Louvain-la-Neuve, Belgium).
  8. 22. Weare, J., Moller, N., Duan, Z., Cauet, E., & Bylaska, E. (2010). Predicting the chemical and physical properties of geothermal fluids : Model development and molecular level theoretical understanding. Paper session presented at Goldschmidt 2010 Earth, Energy and the Environment (2010: Tennessee, USA).
  9. 23. Weare, J., Bylaska, E., Bogatko, S., Cauet, E., & Fulton, J. (2010). 1st principle simulation of H-bonding structure, ion association, and proton and ligand transfer reactions in metal ion hydration shells under ambient and extreme conditions. Paper session presented at Deep Carbon Cycle International Conference (2010: Beijing, China).
  10. 24. Weare, J., Bylaska, E., Bogatko, S., Cauet, E., & Fulton, J. (2010). 1st principle dynamical simulation of hydrogen bond structure, dynamics and simple reactions in the hydration shells of highly charged metal ions. Paper session presented at Goldschmidt 2010 Earth, Energy, and the Environment (2010: Tennessee, USA).
  11. 25. Lauzin, C., Cauet, E., Demaison, J. F., & Liévin, J. (2010). Ab initio investigation of C2H2/X Van der Waals complexes (X=Noble gas, CO2, N2O). Paper session presented at International symposium on molecular spectroscopy, 65th meeting (2010: Ohio, USA).
  12. 26. Cauet, E. (2010). Density functional theory study of the 1H photo-CIDNP enhancements characterizing photoreduced polyazaaromatic Ru(II) complexes. Paper session presented at 9th YBMRS Conference (2010: Brussels, Belgium).
    13. << Précédent 1 2 3 4 5 6 7 8 9 Suivant >>