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Structure and H-bonding of aqueous carbonate species from ab initio MD simulation (invited talk)
Padma Kumar P., Kalinichev A. G., Kirkpatrick R. J.
CECAM Workshop "Microscopic-Scale View of CO2 Sequestration", Centre Européen de Calcul Atomique et Moléculaire, Suisse (2011) [in2p3-00770622 - version 1]
Structural Evolution of SiC Nanostructured and Conventional Ceramics under Irradiation
Leconte Y., Audren A., Monnet I., Gosset D., Simeone D. et al
European Materials Research Society Spring Meeting (E-MRS 2011), France (2011) [hal-00660619 - version 1]
Anisotropic Effect in Collisions of Ions With Biomolecules
Bacchus-Montabonel M.C., Tergiman Y.S., TALBI D.
International Journal of Quantum Chemistry 111, 2 (2011) 520 [hal-00672058 - version 1]
fulltext access Effects of organics on the adsorption and mobility of metal cations in clay systems: Computational molecular modeling approach.
Kalinichev A. G., Ngouana Wakou B. F., Loganathan N.
Dans NEA Clay Club Workshop Proceedings - Clays under Nano- to Microscopic resolution, Allemagne (2011) [in2p3-00677825 - version 1]
fulltext access Effects of Ca2+ on supramolecular aggregation of natural organic matter in aqueous solutions: A comparison of molecular modeling approaches
Kalinichev A. G., Iskrenova-Tchoukova E., Ahn W.-Y., Clark M. M., Kirkpatrick J.
Geoderma 169 (2011) 27-32 [in2p3-00663428 - version 1]
Effets des interactions électroniques et nucléaires dans des céramiques SiC conventionnelles et nanostructurées irradiées aux ions lourds
Audren A., Benyagoub A., Monnet I., Leconte Y., Portier X. et al
Matériaux 2010, France (2010) [hal-00533921 - version 1]
Complexation with metal ions and colloidal aggregation of natural organic matter in aqueous solutions: A computational molecular modeling perspective (invited talk)
Kalinichev A. G.
ANDRA Workshop on Organic Matter in Clay Rock, France (2010) [in2p3-00769218 - version 1]
High-Resolution Spectroscopy and Preliminary Global Analysis of C-H Stretching Vibrations of C2H4 in the 3000 and 6000 cm-1 Regions
Loroño M., Boudon V., Loete M., ROTGER M., Bourgeois M.-T. et al
PAMO-JSM Orsay 2010 : Colloque de la division Physique Atomique, Moléculaire et Optique de la Société Française de Physique. Journées de Spectroscopie Moléculaire, France (2010) [hal-00502079 - version 1]
Radiolytic yield of UIV oxidation into UVI: a new mechanism for UV reactivity in acidic solution
Atinault E., De Waele V., Belloni J., Le Naour C., Fattahi M. et al
Journal of Physical Chemistry A 114 (2010) 2080 - 2085 [hal-00785058 - version 1]
fulltext access Metal cation complexation with natural organic matter in aqueous solutions: Molecular dynamics simulations and potentials of mean force
Iskrenova-Tchoukova E., Kalinichev A. G., Kirkpatrick R. J.
Langmuir 26 (2010) 15909-15919 [in2p3-00769191 - version 1]