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  • 1-5 ل  5 نتائج ل ""molecular dynamics simulation""

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Collection : Archives Ouvertes Hal Imt Atlantique
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Academic Journal

Molecular dynamics simulation of hydrocalumite as adsorbent for anionic radionuclides

Subjects: AFm phases; Layered double hydroxides; Radionuclides

  • Source: ISSN: 0883-2927 ; Applied Geochemistry ; https://hal.science/hal-04637934 ; Applied Geochemistry, 2024, 170, pp.106089. ⟨10.1016/j.apgeochem.2024.106089⟩.

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Academic Journal

Role of Cations in the Methane/Carbon Dioxide Partitioning in Nano- and Mesopores of Illite Using Constant Reservoir Composition Molecular Dynamics Simulation

Subjects: [PHYS]Physics [physics]

  • Source: J.Phys.Chem.C ; https://hal.science/hal-02483968 ; J.Phys.Chem.C, 2020, 124 (4), pp.2490-2500. ⟨10.1021/acs.jpcc.9b10051⟩

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Academic Journal

Molecular dynamics simulation of the interaction of uranium (VI) with the C–S–H phase of cement in the presence of gluconate

Subjects: [PHYS]Physics [physics]

  • Source: Appl.Geochem. ; https://hal.science/hal-02510532 ; Appl.Geochem., 2020, 113, pp.104496. ⟨10.1016/j.apgeochem.2019.104496⟩

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Academic Journal

Ethylene glycol intercalation in smectites. Molecular dynamics simulation studies

Subjects: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry; [CHIM.MATE]Chemical Sciences/Material chemistry; [SDE.MCG]Environmental Sciences/Global Changes

  • Source: ISSN: 0169-1317 ; Applied Clay Science ; https://in2p3.hal.science/in2p3-01066243 ; Applied Clay Science, 2014, 91-92, pp.87-97. ⟨10.1016/j.clay.2014.02.014⟩.

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Academic Journal

On the hydrogen bonding structure at the aqueous interface of ammonium-substituted mica: A molecular dynamics simulation

Subjects: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

  • Source: ISSN: 0932-0784 ; Zeitschrift für Naturforschung A ; https://in2p3.hal.science/in2p3-00768710 ; Zeitschrift für Naturforschung A, 2013, 68, pp.91-100. ⟨10.5560/ZNA.2012-0101⟩.

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  • 1-5 ل  5 نتائج ل ""molecular dynamics simulation""