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125 documents classés par : Date Titre Nom du premier auteur Type de documents Date de dépôt

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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]

LET effects on the hydrogen production induced by the radiolysis of pure water Crumière F., Vandenborre J., Essehli R., Blain G., Barbet J. et al Radiation Physics and Chemistry (2013) [in2p3-00759933 - version 1]

Alpha localized radiolysis and corrosion mechanisms at the iron/water interface: Role of molecular species Vandenborre J., Crumière F., Blain G., Essehli R., Humbert B. et al Journal of Nuclear Materials 433 (2013) 124-131 [in2p3-00748578 - 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]

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]

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 (2012) [in2p3-00768710 - 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]

Radiolytic Corrosion of Grain Boundaries onto the UO2 TRISO Particle Surface Vandenborre J., Traboulsi A., Blain G., Barbet J., Fattahi M. 1st Annual Workshop Proceedings, 7th EC FP - FIRST-Nuclides (2012) [in2p3-00772168 - 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]

Effet de TEL sur la production d'H2 lors de la radiolyse de l'eau pure Crumiere F., Vandenborre J., Fattahi M. JECR, Portugal (2012) [in2p3-00773493 - version 1]

Rôle des espèces radiolytiques moléculaires dans les mécanismes de corrosion à l'interface solide/solution : Apport de la spectroscopie Raman in situ Vandenborre J., Crumiere F., Essehli R., Blain G., Fattahi M. JECR, Portugal (2012) [in2p3-00772208 - 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]

The Radioelements at SUBATECH Vandenborre J. German-French research for nuclear safety: Chemistry of the f-elements, France (2012) [in2p3-00772193 - version 1]