Niall J. English

Publications

• Mechanisms of Iodide⁻Triiodide Exchange Reactions in Ionic Liquids: A Reactive Molecular-Dynamics Exploration
  International Journal of Molecular Sciences. Mar, 2019  |   Pubmed ID: 30841600
• Magnetic-field Effects on Methane-hydrate Kinetics and Potential Geophysical Implications: Insights from Non-equilibrium Molecular Dynamics
  The Science of the Total Environment. Apr, 2019  |   Pubmed ID: 30682616
• Electro-nucleation of Water Nano-droplets in No Man's Land to Fault-free Ice I
  Physical Chemistry Chemical Physics : PCCP. Mar, 2018  |   Pubmed ID: 29513305
• Quantum and Classical Inter-cage Hopping of Hydrogen Molecules in Clathrate Hydrate: Temperature and Cage-occupation Effects
  Physical Chemistry Chemical Physics : PCCP. Dec, 2016  |   Pubmed ID: 27921106
• Hydrogen-bond Dynamics at the Bio-water Interface in Hydrated Proteins: a Molecular-dynamics Study
  Physical Chemistry Chemical Physics : PCCP. Dec, 2016  |   Pubmed ID: 27905589
• Human Aquaporin 4 Gating Dynamics Under Perpendicularly-Oriented Electric-Field Impulses: A Molecular Dynamics Study
  International Journal of Molecular Sciences. Jul, 2016  |   Pubmed ID: 27428954
• Perspectives on External Electric Fields in Molecular Simulation: Progress, Prospects and Challenges
  Physical Chemistry Chemical Physics : PCCP. May, 2015  |   Pubmed ID: 25903011
• Prediction of Henry's Law Constants Via Group-specific Quantitative Structure Property Relationships
  Chemosphere. May, 2015  |   Pubmed ID: 25602194
• Photo-active and Dynamical Properties of Hematite (Fe2O3)-water Interfaces: an Experimental and Theoretical Study
  Physical Chemistry Chemical Physics : PCCP. Jul, 2014  |   Pubmed ID: 24525830
• Coupling of Translational and Rotational Motion in Chiral Liquids in Electromagnetic and Circularly Polarised Electric Fields
  The Journal of Chemical Physics. Mar, 2012  |   Pubmed ID: 22401453
• Mechanisms for Thermal Conduction in Hydrogen Hydrate
  The Journal of Chemical Physics. Jan, 2012  |   Pubmed ID: 22299885
• Density Fluctuations in Liquid Water
  Physical Review Letters. Jan, 2011  |   Pubmed ID: 21405300
• Dynamical Properties of Hydrogen Sulphide Motion in Its Clathrate Hydrate from Ab Initio and Classical Isobaric-isothermal Molecular Dynamics
  The Journal of Physical Chemistry. A. Jun, 2011  |   Pubmed ID: 21391544
• Electromagnetic Field Effects on Binary Dimethylimidazolium-based Ionic Liquid/water Solutions
  Physical Chemistry Chemical Physics : PCCP. Nov, 2009  |   Pubmed ID: 19830319
• Very Different Responses to Electromagnetic Fields in Binary Ionic Liquid-water Solutions
  The Journal of Physical Chemistry. B. Jul, 2009  |   Pubmed ID: 19719281
• Molecular Dynamics Study of Thermal-driven Methane Hydrate Dissociation
  The Journal of Chemical Physics. Aug, 2009  |   Pubmed ID: 19708755
• Mechanisms for Thermal Conduction in Methane Hydrate
  Physical Review Letters. Jul, 2009  |   Pubmed ID: 19659158
• Nonequilibrium Molecular Dynamics Study of Electric and Low-frequency Microwave Fields on Hen Egg White Lysozyme
  The Journal of Chemical Physics. Jul, 2009  |   Pubmed ID: 19624238
• Calculation of Binding Affinities of HIV-1 RT and Beta-secretase Inhibitors Using the Linear Interaction Energy Method with Explicit and Continuum Solvation Approaches
  Journal of Molecular Modeling. Oct, 2007  |   Pubmed ID: 17690926
• Denaturation of Hen Egg White Lysozyme in Electromagnetic Fields: a Molecular Dynamics Study
  The Journal of Chemical Physics. Mar, 2007  |   Pubmed ID: 17362097