• Physicochimie théorique
  • BRILLOUIN / 2ème / 12-002b
  • 0472448314
Assessing the performances of some recently proposed density functionals for the description of organometallic structures
Eric Brémond, Mahboubeh Poor Kalhor, Diane Bousquet, Pierre Mignon, Ilaria Ciofini, Carlo Adamo, Pietro Cortona, Henry Chermette
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, vol. 132, pUNSP 1401 (2013)
Unusual reactivities of acridine derivatives in catalytic hydrogenation. A combined experimental and theoretical study
Pierre Mignon, Martin Tiano, Philippe Belmont, Alain Favre-Réguillon, Henry Chermette, Fabienne Fache
Journal of Molecular Catalysis A: Chemical, vol. 371, p63-69 (2013)
Structural behaviors of cytosine into the hydrated interlayer of Na+-montmorillonite clay. An ab initio molecular dynamics study
Pierre Mignon, Mariona Sodupe
Journal of Physical Chemistry C, vol. 117, p26179-26189 (2013)
Theoretical study of the adsorption of DNA bases on the acidic external surface of montmorillonite.
Pierre Mignon, Mariona Sodupe
Physical Chemistry Chemical Physics, vol. 14, p945-954 (2012)
Theoretical study of the polymerization of p-tert-butyl-anisol
Sameh Ayadi, Pierre Mignon, Manef Abderrabba, Henry Chermette
International Journal of Quantum Chemistry, vol. 112, p2154-2159 (2012)
Cooperative effects at water-crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics study.
Federico Musso, Pierre Mignon, Piero Ugliengo, Mariona Sodupe
Physical Chemistry Chemical Physics, vol. 14, p10507-10514 (2012)
Study of Prepolymerization Complex Formation in the Synthesis of Steroid-Based Molecularly Imprinted Polymers
Corinne Sanglar, Tim Jansen, Marius C. Silaghi, Julien Mernier, Pierre Mignon, Henry Chermette
Analytical Chemistry, vol. 84, p4481-4488 (2012)
DFT study of the fragmentation mechanism of uracil RNA base.
Leila Sadr Arani, Pierre Mignon, H. Abdoul-Carime, B. Farizon, M. Farizon, Henry Chermette
Physical Chemistry Chemical Physics, vol. 14, p9855-9870 (2012)
Oxo iron(IV) as an oxidative active intermediate of p-chlorophenol in the Fenton reaction: a DFT study.
Pierre Mignon, Marc Pera-Titus, Henry Chermette
Physical Chemistry Chemical Physics, vol. 14, p3766-3774 (2012)
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