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  • 1-5 of  5 نتائج ل ""Chemical Sciences""

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Collection : Hal-In2p3 (Institut National De Physique Nucleaire Et De Physique Des Particules) Subject : chemical engineering Subject : chemical physics Subject : molecular dynamics Subject : protein structure Subject : wavefunction methods فلترة بواسطة : كلمات مفتاحية
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Academic Journal

Theoretical radiochemistry as an essential component of molecular radiochemistry ; La radiochimie théorique comme composante essentielle de la radiochimie moléculaire ; Theoretical radiochemistry as an essential component of molecular radiochemistry: from the interpretation to the prediction of experiments ; La radiochimie théorique comme composante essentielle de la radiochimie moléculaire: De l’interprétation à la prédiction des expériences

Subjects: Radiochemistry; theory; methods

  • Source: ISSN: 0151-9093.

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Academic Journal

Universality of hydrogen bond distributions in liquid and supercritical water

Subjects: supercritical water; computer simulations; hydrogen bonding

  • Source: ISSN: 0167-7322 ; Journal of Molecular Liquids ; https://hal.in2p3.fr/in2p3-01577627 ; Journal of Molecular Liquids, 2017, 241, pp.1038-1043. ⟨10.1016/j.molliq.2017.06.114⟩.

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Academic Journal

Intercalation of Ethylene Glycol in Smectites: Several Molecular Simulation Models Verified by X-Ray Diffraction Data

Subjects: Ethylene glycol; Smectite; Molecular dynamics

  • Source: ISSN: 0009-8604 ; Clays and Clay Minerals ; https://hal.in2p3.fr/in2p3-01577620 ; Clays and Clay Minerals, 2016, 64 (4), pp.488-502. ⟨10.1346/ccmn.2016.0640411⟩.

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Dissertation/ Thesis

Effects of cement organic additives on the adsorption of uranyl ions on calcium silicate hydrate phases : experimental determination and computational molecular modelling ; Effets des additifs organiques du ciment sur l’adsorption des ions uranyles sur de silicate de calcium hydraté : détermination expérimentale et modélisation moléculaire

Subjects: Calcium silicate hydrate (C-S-H); Uranium (VI); Gluconate

  • Source: https://theses.hal.science/tel-01591443 ; Material chemistry. Ecole nationale supérieure Mines-Télécom Atlantique, 2017. English. ⟨NNT : 2017IMTA0007⟩.

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Dissertation/ Thesis

Modelling of the uranyl ion interaction at the water/Al(OH)3 by quantum and classical molecular dynamics methods. ; Modélisation de l'interaction de l'ion uranyle à l'interface eau/gibbsite par la dynamique moléculaire quantique et classique

Subjects: Uranyl; Gibbsite; Adsorption

  • Source: https://theses.hal.science/tel-00727757 ; Autre. Université Paris Sud - Paris XI, 2012. Français. ⟨NNT : 2012PA112120⟩.

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  • 1-5 of  5 نتائج ل ""Chemical Sciences""