Niall J. English School of Chemical and Bioprocess Engineering University College Dublin, Belfield Biography Publications Institution JoVE Articles Niall J. English has not added a biography. If you are Niall J. English and would like to personalize this page please email our Author Liaison for assistance. 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 Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid Yogeshwaran Krishnan1, Aaron Byrne1, Niall J. English1 1School of Chemical and Bioprocess Engineering, University College Dublin, Belfield JoVE 60539 Chemistry
Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid Yogeshwaran Krishnan1, Aaron Byrne1, Niall J. English1 1School of Chemical and Bioprocess Engineering, University College Dublin, Belfield JoVE 60539 Chemistry