.:. Consulter > Par thème arXiv > Chimie .:.

365 Documents classés par :  Date Titre Nom du premier auteur Type de documents Date de dépôt

... 5 - 6 - 7 - 8 - 9 - 10 - 11 ...

The new kinetic database for astrochemistry TALBI D., Wakelam V. Journal of Physics: Conference Series 300 (2011) 012029 [hal-00672059 - version 1]

Molecular models of natural organic matter and its colloidal aggregation in aqueous solutions: Challenges and opportunities for computer simulations (keynote talk) Kalinichev A. G. 32nd International Conference on Solution Chemistry, France (2011) [in2p3-00770633 - version 1]

Structure and dynamics of CO2, H2CO3, HCO3-, CO32- in aqueous solutions: Ab initio molecular dynamics simulations Padma Kumar P., Kalinichev A. G., Kirkpatrick R. J. 32nd International Conference on Solution Chemistry, France (2011) [in2p3-00770626 - version 1]

Direct Infrared Absorption Spectroscopy of Benzene Dimer Vijayanand C., Biennier L., Arunan E., TALBI D., Georges R. Journal of Physical Chemistry 115, 41 (2011) 11263 [hal-00672055 - version 1]

Fluid-fluid phase separation under metamorphic conditions: MD simulations of a generalized composition H2O-CO2-NaCl (invited talk) Kalinichev A. G. Symposium 19e: Simulation of Geofluids from Melts to Aqueous Solutions, 2011 Goldschmidt Conference, Tchèque, République (2011) [in2p3-00769216 - version 1]

Hydrogen bonding and molecular ordering of water at mineral-solution interfaces (keynote talk) Kalinichev A. G., Wang J., Kirkpatrick R. J. 08k: Water structure and hydrogen bonding on mineral and nanoparticle surfaces , 2011 Goldschmidt Conference, Tchèque, République (2011) [in2p3-00769215 - version 1]

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]

Catalyseurs supportés pour la conversion des liquéfiats de charbon. Stihle J., Geantet C., Uzio D., Charon Y. GECat GFZ 2011, France (2011) [hal-00603961 - 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]

PAH related very small grains in photodissociation regions : implications from molecular simulations Rapacioli M., Spiegelman F., Joalland B., Simon A., Mirtschink A. et al in PAHS AND THE UNIVERSE: A SYMPOSIUM TO CELEBRATE THE 25TH ANNIVERSARY OF THE PAH HYPOTHESIS (2011) 223 vol 46 [hal-00672052 - version 1]