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Investigation of Astatine(III) Hydrolyzed Species: Experiments and Relativistic Calculations
Champion J., Sabatié-Gogova A., Bassal F., Ayed T., Alliot C. et al
Journal of Physical Chemistry A 117 (2013) 1983-1990 [in2p3-00804191 - version 1]
fulltext access On the hydrogen bonding structure at the aqueous interface of ammonium-substituted mica: A molecular dynamics simulation
Narasimhan L., Kalinichev A. G.
Zeitschrift fur Naturforschung a 68 (2013) 91-100 [in2p3-00768710 - version 1]
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]
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]