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The Journal of Chemical Physics|July 17, 2017
Global-density fluctuations in methane clathrate hydrates in externally applied electromagnetic fieldsConor J Waldron, Niall J EnglishPhysical Chemistry Chemical Physics : PCCP|April 24, 2015
Perspectives on external electric fields in molecular simulation: progress, prospects and challengesNiall J English, Conor J WaldronHeliyon|March 27, 2020
Dynamical properties of organo lead-halide perovskites and their interfaces to titania: insights from Density Functional TheoryNiall J EnglishThe Journal of Chemical Physics|December 22, 2014
Massively parallel molecular-dynamics simulation of ice crystallisation and melting: the roles of system size, ensemble, and electrostaticsNiall J EnglishNanomaterials (Basel, Switzerland)|July 12, 2025
Electric-Field Nanobubble-Enhanced Progress in Anaerobic Digestion Unit Operations: Biogas Upgrading and Up- and Down-Stream Water and Sludge Treatment OperationsNiall J EnglishJournal of Molecular Modeling|August 11, 2007
Calculation of binding affinities of HIV-1 RT and beta-secretase inhibitors using the linear interaction energy method with explicit and continuum solvation approachesNiall J EnglishChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 5, 2010
First-principles calculation of electronic structure of V-doped anatase TiO2Run Long, Niall J EnglishThe Journal of Chemical Physics|December 3, 2016
Oscillating electric-field effects on adsorbed-water at rutile- and anatase-TiO2 surfacesZdenek Futera, Niall J EnglishChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 6, 2011
New insights into the band-gap narrowing of (N, P)-codoped TiO2 from hybrid density functional theory calculationsRun Long, Niall J EnglishPhysical Chemistry Chemical Physics : PCCP|June 25, 2011
Band gap engineering of double-cation-impurity-doped anatase-titania for visible-light photocatalysts: a hybrid density functional theory approachRun Long, Niall J EnglishPageof 13