| Understanding and tuning the intrinsic hydrophobicity of rare-earth oxides: A DFT+ U study G Carchini, M García-Melchor, Z Łodziana, N López ACS applied materials & interfaces 8 (1), 152-160, 2016 | 70 | 2016 |
| Costless derivation of dispersion coefficients for metal surfaces N Almora-Barrios, G Carchini, P Błoński, N Lopez Journal of chemical theory and computation 10 (11), 5002-5009, 2014 | 63 | 2014 |
| On the properties of binary rutile MO2 compounds, M = Ir, Ru, Sn, and Ti: A DFT study G Novell-Leruth, G Carchini, N López The Journal of chemical physics 138 (19), 194706, 2013 | 60 | 2013 |
| State-of-the-art and challenges in theoretical simulations of heterogeneous catalysis at the microscopic level N Lopez, N Almora-Barrios, G Carchini, P Błoński, L Bellarosa, ... Catalysis Science & Technology 2 (12), 2405-2417, 2012 | 46 | 2012 |
| A theoretical study of gas adsorption on calcite for CO2 enhanced natural gas recovery G Carchini, I Hussein, MJ Al-Marri, R Shawabkeh, M Mahmoud, ... Applied Surface Science 504, 144575, 2020 | 35 | 2020 |
| How theoretical simulations can address the structure and activity of nanoparticles G Carchini, N Almora-Barrios, G Revilla-López, L Bellarosa, ... Topics in Catalysis 56 (13-14), 1262-1272, 2013 | 23 | 2013 |
| Effect of rock mineralogy on Hot-CO2 injection for enhanced gas recovery M Mahmoud, I Hussein, G Carchini, R Shawabkeh, M Eliebid, MJ Al-Marri Journal of Natural Gas Science and Engineering 72, 103030, 2019 | 22 | 2019 |
| Effect of surface morphology on methane interaction with calcite: a DFT study AT Onawole, IA Hussein, G Carchini, A Sakhaee-Pour, GR Berdiyorov RSC Advances 10 (28), 16669-16674, 2020 | 20 | 2020 |
| Adsorption of small mono-and poly-alcohols on rutile TiO 2: a density functional theory study G Carchini, N López Physical Chemistry Chemical Physics 16 (28), 14750-14760, 2014 | 14 | 2014 |
| A theoretical study of gas adsorption on α-quartz (0 0 1) for CO2 enhanced natural gas recovery G Carchini, I Hussein, MJ Al-Marri, R Shawabkeh, M Mahmoud, ... Applied Surface Science 525, 146472, 2020 | 13 | 2020 |
| Analysis of infrared spectra of β-hairpin peptides as derived from molecular dynamics simulations L Zanetti Polzi, I Daidone, M Anselmi, G Carchini, A Di Nola, A Amadei The Journal of Physical Chemistry B 115 (41), 11872-11878, 2011 | 13 | 2011 |
| Effect of strain on gas adsorption in tight gas carbonates: A DFT study E Elbashier, I Hussein, G Carchini, AS Pour, GR Berdiyorov Computational Materials Science, 110186, 2020 | 7 | 2020 |
| Ab Initio Molecular Dynamics Investigation of CH4/CO2 Adsorption on Calcite: Improving the Enhanced Gas Recovery Process G Carchini, MJ Al-Marri, IA Hussein, S Aparicio ACS omega 5 (46), 30226-30236, 2020 | 7 | 2020 |
| A theoretical study of gas adsorption on calcite for CO2 enhanced natural gas recovery G Carchini, I Hussein, MJ Al-Marri, R Shawabkeh, S Aparicio Third EAGE WIPIC Workshop: Reservoir Management in Carbonates 2019 (1), 1-5, 2019 | | 2019 |
