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List of works by Kyle G. Reeves

A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrile

scientific article published on 19 February 2020

A semiclassical Thomas-Fermi model to tune the metallicity of electrodes in molecular simulations

scientific article published on 01 November 2020

Diffusion quantum Monte Carlo study of martensitic phase transition energetics: The case of phosphorene

scientific article published in September 2016

Electronic Excitation Dynamics in Liquid Water under Proton Irradiation

scientific article published on 13 January 2017

Role of Surface Termination on Hot Electron Relaxation in Silicon Quantum Dots: A First-Principles Dynamics Simulation Study.

scientific article

Theoretical oxidation state analysis of Ru-(bpy)3: influence of water solvation and Hubbard correction in first-principles calculations.

scientific article published in July 2014

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