| 1 |
Mechanism, ab initio calculations and microkinetics of straight-chain alcohol, ether, ester, aldehyde and carboxylic acid hydrodeoxygenation over Ni-Mo catalyst
Hocevar B, Grilc M, Hus M, Likozar B
Chemical Engineering Journal, 359, 1339, 2019 |
| 2 |
Carbon-doped boron nitride nanosheet as a promising catalyst for N2O reduction by CO or SO2 molecule: A comparative DFT study
Esrafili MD, Saeidi N
Applied Surface Science, 444, 584, 2018 |
| 3 |
Boosting graphene reactivity with co-doping of boron and nitrogen atoms: CO oxidation by O-2 molecule
Esrafili MD, Mousavian P
Applied Surface Science, 455, 808, 2018 |
| 4 |
NO reduction by CO molecule over Si-doped boron nitride nanosheet: A dispersion-corrected DFT study
Esrafili MD
Chemical Physics Letters, 695, 131, 2018 |
| 5 |
BN co-doped graphene monolayers as promising metal-free catalysts for N2O reduction: A DFT study
Esrafili MD
Chemical Physics Letters, 705, 44, 2018 |
| 6 |
A new molecular pathway allows the chemoselective reduction of nitroaromatics on non-noble metal catalysts
Milian R, Liu LC, Boronat M, Corma A
Journal of Catalysis, 364, 19, 2018 |
| 7 |
Mechanism, ab initio calculations and microkinetics of hydrogenation, hydrodeoxygenation, double bond migration and cis-trans isomerisation during hydrotreatment of C-6 secondary alcohol species and ketones
Hocevar B, Grilc M, Hus M, Likozar B
Applied Catalysis B: Environmental, 218, 147, 2017 |
| 8 |
CO oxidation mechanism on the gamma-Al2O3 supported single Pt atom: First principle study
Gao HW
Applied Surface Science, 379, 347, 2016 |
| 9 |
Theoretical Insights into the Mechanism of CO2 Chemisorption and Subsequent CO Desorption on Char Surface with Zigzag Active Sites
Liu P, Lin H, Huang Z
Combustion Science and Technology, 188(7), 1136, 2016 |
| 10 |
Regiachemistry in the electrochemical assisted grafting of glassy carbon. With focus on sterical hindrance of lateral chains in the electroreduction process of multi-functionalized bithiophene
Tassinari F, Vanossi D, Mucci A, Parenti F, Fontanesi C
Journal of Electroanalytical Chemistry, 710, 70, 2013 |
