208 articles – 1940 Notices  [english version]
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Occurrence of natural organic chlorine in soils for different land uses
Redon P.-O., Jolivet C., Saby N.P.A., Abdelouas A., Thiry Y.
Biogeochemistry 114 (2013) 413-419 [in2p3-00850181 - 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]
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]
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]
Molecular structure and dynamics of nano-confined aqueous solutions: Computer simulations of clay, cement, and polymer membranes
Kalinichev A. G.
NATO Advanced Research Workshop on the Physical Chemistry of Capillary and Bound/Confined Liquids, Israel (2012) [in2p3-00769209 - version 1]
Computational molecular modeling for nuclear waste management and other radiochemical applications (invited talk)
Kalinichev A. G., Narasimhan L., Ngouana Wakou B. F.
Journée GRIM3 2012, Groupe de Recherche Interdisciplinaire sur les Matériaux, les Molécules et la Matière, France (2012) [in2p3-00769210 - version 1]
Sorption of selenite in a multi-component system using the "dialysis membrane" method
Muller J., Abdelouas A., Ribet S., Grambow B.
Applied Geochemistry 27 (2012) 2524-2532 [in2p3-00881415 - version 1]
Use of fluorescence spectroscopy and voltammetry for the analysis of metal-organic matter interactions in the New Caledonia lagoon
Merdy P., Bonnefoy A., Martias C., Garnier C., Huclier S.
International Journal of Environmental Analytical Chemistry (2012) 868-893 [in2p3-00679672 - version 1]
Redox-active phases and radionuclide equilibrium valence state in subsurface environments - New insights from 6th EC FP IP FUNMIG
Bruggeman C., Maes N., Christiansen B.C., Stipp S.L.S., Breynaert E. et al
Applied Geochemistry 27 (2012) 404-413 [in2p3-00667196 - 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]
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]
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]