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Synonyms were used for: molecular dynamics
Search without synonyms: keywords:("molecular dynamics")
Used synonyms:
- md simulation
- molekularbewegung
- molekulardynamik
- molekulardynamikmethode
- molekulardynamische berechnung
- molekulardynamische computersimulation
- molekulardynamische simulation
- molekulare dynamik
- molekulbewegung
- molekuldynamik
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Simulation and visualization of the displacement between CO2 and formation fluids at pore-scale levels and its application to the recovery of shale gas
Free accessSpringer Verlag | 2016|Keywords: Molecular dynamics -
Molecular dynamics simulations of CH4 diffusion in kaolinite: influence of water content
Free accessSpringer Verlag | 2019|Keywords: Molecular dynamics -
First‐principle calculation of distorted T‐carbon as a promising anode for Li‐ion batteries with enhanced capacity, reversibility, and ion migration properties
Free accessWiley | 2020|Keywords: molecular dynamics -
Molecular Understanding of Charge Storage in MoS2 Supercapacitors with Ionic Liquids
Free accessWiley | 2021|Keywords: molecular dynamics simulation -
An Intracellular Pathway Controlled by the N-terminus of the Pump Subunit Inhibits the Bacterial KdpFABC Ion Pump in High K + Conditions
Free accessBASE | 2021|Keywords: Molecular dynamics simulations -
Exploration on molecular dynamics simulation methods of microscopic wetting process for coal dust
Free accessSpringer Verlag | 2021|Keywords: Molecular dynamics -
Degradation of Per- and Polyfluoroalkyl Substances with Hydrated Electrons: A New Mechanism from First-Principles Calculations
Free accessAmerican Chemical Society | 2022|Keywords: ab initio molecular dynamics -
Atomistic-scale investigation of self-healing mechanism in Nano-silica modified asphalt through molecular dynamics simulation
Free accessSpringer Verlag | 2022|Keywords: Molecular dynamics -
Solvation Structure and Dynamics of Mg(TFSI)2 Aqueous Electrolyte
Free accessWiley | 2022|Keywords: molecular dynamics simulation -
Degradation of Perfluorooctanoic Acid on Aluminum Oxide Surfaces: New Mechanisms from Ab Initio Molecular Dynamics Simulations
Free accessAmerican Chemical Society | 2023|Keywords: ab initio molecular dynamics -
Impact of Lithium‐Ion Coordination on Lithium Electrodeposition
Free accessWiley | 2023|Keywords: molecular dynamics -
Effect of solvation shell structure on thermopower of liquid redox pairs
Free accessWiley | 2023|Keywords: molecular dynamics -
Acid–Base Properties of Cis-Vacant Montmorillonite Edge Surfaces: A Combined First-Principles Molecular Dynamics and Surface Complexation Modeling Approach
Free accessAmerican Chemical Society | 2023|Keywords: first-principles molecular dynamics -
Sulfidation Impacts on the Hydrophobicity of Stepped Iron Surfaces
Free accessWiley | 2023|Keywords: ab initio molecular dynamics -
Concentrated ternary ether electrolyte allows for stable cycling of a lithium metal battery with commercial mass loading high‐nickel NMC and thin anodes
Free accessWiley | 2023|Keywords: molecular dynamics -
Phase State, Surface Tension, Water Activity, and Accommodation Coefficient of Water–Organic Clusters Near the Critical Size for Atmospheric New Particle Formation
Free accessAmerican Chemical Society | 2023|Keywords: molecular dynamics simulations
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