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James R Middleton, Mojtaba Ghadiri, Andrew J Scott
James R Middleton, Andrew J Scott, Richard Storey

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on : Jan 25, 2020

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on : Apr 12, 2019