181 articles – 1722 Notices  [english version]
.:. Consultation > Par auteurs du labo > Kalinichev .:.
8 documents classés par :
Ethylene glycol intercalation in smectites. Molecular dynamics simulation studies
Szczerba M., Klapyta Z., Kalinichev A. G.
5th International meeting "Clays in Natural and Engineered Barriers for Radioactive Waste Confinement", France (2012) [in2p3-00769154 - 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 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]
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]
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]
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]