Tight-binding quantum chemical molecular dynamics simulation of mechano-chemical reactions during chemical-mechanical polishing process of SiO2 surface by CeO2 particle

Rajendran, A. / Takahashi, Y. / Koyama, M. et al. | British Library Online Contents | 2005

Photocatalytic oxidation dynamics of acetone on TiO2: tight-binding quantum chemical molecular dynamics study

Lv, C. / Wang, X. / Agalya, G. et al. | British Library Online Contents | 2005

Bonding and diffusion in hydrogenated amorphous silicon by tight-binding molecular dynamics

Lanzavecchia, S. / Colombo, L. | British Library Online Contents | 1996

Temperature-dependent BN cluster formation dynamics from a boron cluster: Density-functional tight-binding molecular dynamics simulations

Ohta, Yasuhito | British Library Online Contents | 2017

Self-diffusion of silicon in TiSi2 competing phases by tight-binding molecular dynamics

Iannuzzi, M. / Raiteri, P. / Miglio, L. | British Library Online Contents | 2001