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A molecular dynamics investigation of actinyl–ligand speciation in aqueous solution
Royal Society of Chemistry | 2018| -
Molecular Dynamics Simulation Study of the Association of Lidocainium Docusate and Its Derivatives in Aqueous Solution
American Chemical Society | 2015| -
Rapid shear viscosity calculation by momentum impulse relaxation molecular dynamics
National licenceAmerican Institute of Physics | 2005| -
Anion Enhancement at the Liquid–Vacuum Interface of an Ionic Liquid Mixture
American Chemical Society | 2018| -
Small Molecule Solvation Free Energy: Enhanced Conformational Sampling Using Expanded Ensemble Molecular Dynamics Simulation
American Chemical Society | 2011| -
Isomolar-semigrand ensemble molecular dynamics: Application to vapor-liquid equilibrium of the mixture methane/ethane
National licenceAmerican Institute of Physics | 2006| -
Refined Method for Predicting Electrochemical Windows of Ionic Liquids and Experimental Validation Studies
American Chemical Society | 2014| -
Correction to “Molecular Dynamics Simulations of CO2 at an Ionic Liquid Interface: Adsorption, Ordering, and Interfacial Crossing”
American Chemical Society | 2012| -
Thermodynamic Properties of Supercritical Mixtures of Carbon Dioxide and Methane: A Molecular Simulation Study
American Chemical Society | 2014| -
A biased grand canonical Monte Carlo method for simulating adsorption using all-atom and branched united atom models
National licenceTaylor & Francis Verlag | 1999| -
Impact of Molecular Architecture on the High-Pressure Rheology of Hydrocarbon Fluids
American Chemical Society | 2000| -
Molecular Simulation Study of the Performance of Supported Ionic Liquid Phase Materials for the Separation of Carbon Dioxide from Methane and Hydrogen
British Library Online Contents | 2017| -
Effect of Alkyl-group Flexibility on the Melting Point of Imidazolium-based Ionic Liquids
Free accessArXiv | 2021| -
A molecular dynamics study of lithium-containing aprotic heterocyclic ionic liquid electrolytes
American Institute of Physics | 2018| -
Effect of alkyl-group flexibility on the melting point of imidazolium-based ionic liquids
American Institute of Physics | 2020| -
Efficient Solvation Free Energy Calculations of Amino Acid Analogs by Expanded Ensemble Molecular Simulation
American Chemical Society | 2011| -
Molecular Dynamics Simulations of Alkanes in the Zeolite Silicalite: Evidence for Resonant Diffusion Effects
American Chemical Society | 1997| -
Sigma profiles in deep learning: towards a universal molecular descriptor
Royal Society of Chemistry | 2022|
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