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Ab initio calculations of autoionizing states using block diagonalization: Collinear diabatic states for dissociative recombination of electrons with N2H+
Kashinski D.O., TALBI D., Hickman A.P.
Chemical Physics Letters 529 (2012) 10-15 [hal-00701669 - version 1]
Recombination by Electron Capture in the Interstellar Medium
Bacchus-montabonel M.C., TALBI D.
Dans ADVANCES IN THE THEORY OF QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS (2012) 369-379, Volume: 22 [hal-00701665 - version 1]
Rate Constants and Branching Ratios for the Reaction of CH Radicals with NH3 : A Combined Experimental and Theoretical Study
Blitz M.A., TALBI D., Seakins P.W., Smith I.W.M.
Journal of Physical Chemistry 116 (2012) 5877 [hal-00672054 - version 1]
Theoretical approaches for studying Astrochemistry
in Chemistry in Astrophysical Media AstrOHP 2010 (2011) 02002 [hal-00672051 - version 1]
fulltext access Computational molecular modeling of the multi-scale dynamics of water and ions at cement interfaces.
Kalinichev A.
NUWCEM 2011 - 1st International Symposium on Cement-based Materials for Nuclear Wastes, France (2011) [in2p3-00677828 - version 1]
Molecular dynamics simulations on the structure and dynamics of H2O, K+, NH4+ on hydrated muscovite surface
Narasimhan L., Ngouana Wakou B. F., Kalinichev A. G.
Clay Minerals Society - 48th Annual Meeting, United States (2011) [in2p3-00769211 - version 1]
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]