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Anisotropic Thermal Conductivity in Few-Layer and Bulk Titanium Trisulphide from First Principles

scientific article published on 08 April 2020

Density-functional theory models of Fe(iv)O reactivity in metal-organic frameworks: self-interaction error, spin delocalisation and the role of hybrid exchange

artículo científico publicado en 2020

Electronic structure and reactivity of Fe(iv)oxo species in metal-organic frameworks

scientific article published on 01 February 2019

The excess electron at polyethylene interfaces

artículo científico publicado en 2018

Understanding ultrafast charge transfer processes in SnS and SnS<sub>2</sub>: using the core hole clock method to measure attosecond orbital-dependent electron delocalisation in semiconducting layered materials

artículo científico publicado en 2021

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