| 1 |
Computational models of (001) faceted anatase TiO2 nanoparticles
Vorontsov AV, Valdes H, Smirniotis PG, Paz Y
Journal of Chemical Technology and Biotechnology, 95(10), 2750, 2020 |
| 2 |
Insights into the visible light photocatalytic activity of S-doped hydrated TiO2
Vorontsov AV, Valdes H
International Journal of Hydrogen Energy, 44(33), 17963, 2019 |
| 3 |
The interaction between HCHO and TiO2 (101) surface without and with water and oxygen molecules
Wu GF, Zhao CH, Zhou X, Chen JH, Li YQ, Chen Y
Applied Surface Science, 455, 410, 2018 |
| 4 |
Study of atomic arrangements and charge distribution on Si(001) surfaces with the adsorption of one Ge atom by DFTB calculations
Wu LJ, Zhang L, Shen LH
Applied Surface Science, 447, 22, 2018 |
| 5 |
A density functional based tight binding (DFTB plus ) study on the sulfidization-amine flotation mechanism of smithsonite
Chen Y, Liu M, Chen JH, Li YQ, Zhao CH, Mu X
Applied Surface Science, 458, 454, 2018 |
| 6 |
Electronic properties of graphene with single vacancy and Stone-Wales defects
Zaminpayma E, Razavi ME, Nayebi P
Applied Surface Science, 414, 101, 2017 |
| 7 |
Towards atomic-level mechanics: Adhesive forces between aromatic molecules and carbon nanotubes
Lechner C, Sax AF
Applied Surface Science, 420, 606, 2017 |
| 8 |
Semi-empirical quantum evaluation of peptide - MHC class II binding
Gonzalez R, Suarez CF, Bohorquez HJ, Patarroyo MA, Patarroyo ME
Chemical Physics Letters, 668, 29, 2017 |
| 9 |
Applicability of Density Functional Tight Binding Method with Dispersion Correction to Investigate the Adsorption of Porphyrin/Porphycene Metal Complexes on Graphene
Kanematsu Y, Gohara K, Yamada H, Takano Y
Chemistry Letters, 46(1), 51, 2017 |
| 10 |
Effects of steam introduction on deactivation of Fe-BEA catalyst in NH3-SCR of N2O and NO
Baek JH, Lee SM, Park JH, Jeong JM, Hwang RH, Ko CH, Jeon SG, Choi TH, Yi KB
Journal of Industrial and Engineering Chemistry, 48, 194, 2017 |
