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Effects of surface cations on the structure and dynamics of the hydrogen-bonding network at the illite-water interface: A molecular dynamics simulation study
Narasimhan L., Kalinichev A. G.
5th International meeting "Clays in Natural and Engineered Barriers for Radioactive Waste Confinement", France (2012) [in2p3-00769153 - version 1]
Molecular modeling of the swelling properties and interlayer structure of Cs, Na, K-Montmorillonite: Effects of charge distribution in the clay layers
Ngouana Wakou B. F., Kalinichev A. G.
5th International meeting "Clays in Natural and Engineered Barriers for Radioactive Waste Confinement", France (2012) [in2p3-00769152 - version 1]
fulltext access Molecular models of natural organic matter and its colloidal aggregation in aqueous solutions: Challenges and opportunities for computer simulations
Kalinichev A. G.
Pure and Applied Chemistry (2012) [in2p3-00769189 - version 1]
Slow diffusional dynamics of water in cement nanopores: Multiscale challenges for atomistic modeling (topic leader)
Kalinichev A. G., Kirkpatrick R. J.
International US-Poland Workshop "Multiscale Computational Modeling of Cementitious Materials", Pologne (2012) [in2p3-00769185 - version 1]
Mineral-fluid interactions on the molecular scale: Computational atomistic modeling of clay-related materials for geochemical and environmental applications
Kalinichev A. G.
Invited seminar at the Institute of Geological Sciences, Polish Academy of Sciences, Pologne (2012) [in2p3-00769160 - version 1]
Molecular Modeling of the Swelling Properties and Interlayer Structure of Cs, and K-Montmorillonites: Effects of Charge Distribution in the Clay Layers
Ngouana Wakou B. F., Kalinichev A. G.
XIIIe journées nationale de radiochimie et de chimie nucléaire, France (2012) [in2p3-00769157 - version 1]
Molecular Dynamics Simuation of Cs+ on the Hydrated Muscovite Surface: Local Structural Environment and Dynamics
Narasimhan L., Kalinichev A. G.
XIIIe journées nationale de radiochimie et de chimie nucléaire, France (2012) [in2p3-00769158 - version 1]
Computational molecular modeling of mineral-water interfaces for geochemical and environmental applications (invited lecture)
Kalinichev A. G.
VIII International School of Earth's Sciences I.S.E.S., Ukraine (2012) [in2p3-00769187 - version 1]
fulltext access Géochimie et nanostructures des carbones des achondrites primitives : recherche de signatures pré-accrétionnelles par SIMS, Raman et METHR
Charon E.
Université Paris Sud - Paris XI (09/07/2012), Jérôme Aléon;Jean-noel Rouzaud (Dir.) [tel-01059791 - version 1]
STAR - Dépôt national des thèses électroniques
Structure and Energetics of Smectite Interlayer Hydration: Molecular Dynamics Investigations of Na- and Ca Hectorite
Morrow C. P., Yazaydin A. O., Bowers G. M., Kalinichev A. G., Kirkpatrick R. J.
Symposium 8g: Structure and dynamics of ions and water at mineral-water interfaces: insights from experimental and computational studies, 2012 Goldschmidt Conference, Canada (2012) [in2p3-00769208 - version 1]