publication venue for Adsorption of silanediol-like molecules on TiO2 nano-clusters: A density-functional-theoretic study. :-. 2023-01-01 Hollow structures of TinOm systems with m ≈ 2n: A density functional theoretical study. 164:-. 2022-01-01 Low lattice thermal conductance obtained by controllable quasiperiodic long-range disorder in ternary atomic ribbons with rock-salt structure. 170:-. 2022-01-01 The role of tagging atoms on the thermal stability and vibrational behavior of Nb9 clusters. 163:-. 2022-01-01 Bimetalic (AuPt)4 nano-clusters adsorbed on TiO2 nano-wires: A density-functional-theoretic study. 159:-. 2021-01-01 TiO2 nano-clusters adsorbed on surfaces: A density-functional-theoretic study. 150:-. 2021-01-01 Structural and electronic properties of (TiO2)10 clusters with impurities: A density functional theory investigation. 135:-. 2019-01-01 Structural and electronic properties of (TiO2)N nanowires: A density functional theory investigation. 119:175-182. 2018-01-01