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Academic Journal

Molecular dynamics simulation dataset for xSiO$_2$-yB$_2$O$_3$-(1-x-y)Na$_2$O glasses

Subjects: Oxide glasses; Sodium borosilicate glass; Thermodynamics

  • Source: ISSN: 2352-3409 ; Data in Brief ; https://hal.science/hal-04869283 ; Data in Brief, 2024, 58, pp.111218. ⟨10.1016/j.dib.2024.111218⟩ ;

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Academic Journal

Molecular dynamics simulation of ballistic effects in mesoporous silica

Subjects: Mesoporous silica; Molecular Dynamics; Radiation damage

  • Source: ISSN: 0022-3093 ; Journal of Non-Crystalline Solids ; https://hal.science/hal-03492450 ; Journal of Non-Crystalline Solids, 2020, 549, pp.120346. ⟨10.1016/j.jnoncrysol.2020.120346⟩.

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Academic Journal

Isotope effect on hydrogen bond symmetrization in hydrogen and deuterium fluoride crystals by molecular dynamics simulation ; Effet isotopique sur la symétrie de liaison hydrogène dans les cristaux d'hydrogène et de fluorure de deutérium par simulation de dynamique moléculaire

Subjects: [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat]; [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry; [CHIM.CRIS]Chemical Sciences/Cristallography

  • Source: ISSN: 1463-9076.

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Academic Journal

Molecular Dynamics Simulation of Water Confinement in Disordered Aluminosilicate Subnanopores

Subjects: disordered porous structure; subnanopore; molecular dynamics

  • Source: ISSN: 2045-2322.

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Academic Journal

Quantum Thermal Bath for Path Integral Molecular Dynamics Simulation ; Thermostat quantique pour la méthode de dynamique moléculaire utilisant les intégrales de chemin

Subjects: [PHYS]Physics [physics]; [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat]; [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]

  • Source: ISSN: 1549-9618.

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Academic Journal

Bindings of hMRP1 transmembrane peptides with dodecylphosphocholine and dodecyl-β-d-maltoside micelles: A molecular dynamics simulation study

Subjects: Transmembrane peptide fragment; Dodecylphosphocholine; Dodecyl-β-D-maltoside micelle

  • Source: ISSN: 0005-2736 ; EISSN: 1879-2642.

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Academic Journal

Time-dependent density functional theory molecular dynamics simulation of doubly charged uracil in gas phase

Subjects: uracil; proton collision; nonadiabatic dynamics

  • Source: ISSN: 2391-5471 ; Open Physics ; https://hal.science/hal-00982119 ; Open Physics, 2014, 12 (2), pp.97-102. ⟨10.2478/s11534-014-0428-0⟩.

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Academic Journal

Quantum thermal bath for molecular dynamics simulation

Subjects: [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics]

  • Source: ISSN: 0031-9007.

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Academic Journal

Molecular dynamics simulation of energetic uranium recoil damage in zircon

Subjects: Molecular dynamics; amorphisation; nuclear waste form

  • Source: ISSN: 0892-7022.

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Academic Journal

Simulation of AOT reverse micelles with polyethylenimine in hexane

Subjects: AOT reverse micelle; Molecular dynamics simulation; polyethylenimine (PEI) polymer

  • Source: ISSN: 0303-402X.

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  • 1-10 of  49 results for ""Molecular Dynamics Simulation""