Search filters

List of works by Dmitry Bocharov

A first-principles DFT study of UN bulk and (001) surface: comparative LCAO and PW calculations

scientific article published on 01 October 2008

Analysis of the U L 3 -edge X-ray absorption spectra in UO 2 using molecular dynamics simulations

Electronic charge redistribution in LaAlO3(001) thin films deposited at SrTiO3(001) substrate: First-principles analysis and the role of stoichiometry

scientific article published on 9 October 2012

First-principles calculations on Fe-Pt nanoclusters of various morphologies.

scientific article

Interpretation of the U L3-edge EXAFS in uranium dioxide using molecular dynamics and density functional theory simulations

scholarly article by Dmitry Bocharov et al published May 2016 in Journal of Physics: Conference Series

Validation of moment tensor potentials for fcc and bcc metals using EXAFS spectra

scientific article published in 2022

Water Adsorption on Clean and Defective Anatase TiO2 (001) Nanotube Surfaces: A Surface Science Approach

scientific article published on 11 April 2018

Paulina is supported by:

About Paulina

Help