Application of zone-folding approach to the first-principles estimation of thermodynamic properties of carbon and ZrS2-based nanotubes. - Andrei V. Bandura; Vitaly V. Porsev; Robert A. Evarestov (J. Comput. Chem., 2016)

Temperature dependence of strain energy and thermodynamic properties of V2O5-based single-walled nanotubes: Zone-folding approach. - Vitaly V. Porsev; Andrei V. Bandura; Robert A. Evarestov (J. Comput. Chem., 2016)

First-principles modeling of hafnia-based nanotubes. - Robert A. Evarestov; Andrei V. Bandura; Vitaly V. Porsev; Alexey V. Kovalenko (J. Comput. Chem., 2017)

Phonon spectra, electronic, and thermodynamic properties of WS2 nanotubes. - Robert A. Evarestov; Andrei V. Bandura; Vitaly V. Porsev; Alexey V. Kovalenko (J. Comput. Chem., 2017)