| Structure and Reactivity of Oxygen-Bridged Diamino Dicopper(II) Complexes in Cu-Ion-Exchanged Chabazite Catalyst for NH3-Mediated Selective Catalytic … C Negri, T Selleri, E Borfecchia, A Martini, KA Lomachenko, ... Journal of the American Chemical Society 142 (37), 15884-15896, 2020 | 127 | 2020 |
| Assessment of different quantum mechanical methods for the prediction of structure and cohesive energy of molecular crystals M Cutini, B Civalleri, M Corno, R Orlando, JG Brandenburg, L Maschio, ... Journal of chemical theory and computation 12 (7), 3340-3352, 2016 | 100 | 2016 |
| Exfoliation energy of layered materials by DFT-D: Beware of dispersion! M Cutini, L Maschio, P Ugliengo Journal of Chemical Theory and Computation 16 (8), 5244-5252, 2020 | 43 | 2020 |
| Evidence of Mixed‐Ligand Complexes in Cu−CHA by Reaction of Cu Nitrates with NO/NH3 at Low Temperature C Negri, E Borfecchia, M Cutini, KA Lomachenko, TVW Janssens, ... ChemCatChem 11 (16), 3828-3838, 2019 | 39 | 2019 |
| How does collagen adsorb on hydroxyapatite? Insights from ab initio simulations on a polyproline type II model M Cutini, M Corno, D Costa, P Ugliengo The Journal of Physical Chemistry C 123 (13), 7540-7550, 2017 | 36 | 2017 |
| Nanoscale MXene interlayer and substrate adhesion for lubrication: a density functional theory study E Marquis, M Cutini, B Anasori, A Rosenkranz, MC Righi ACS Applied Nano Materials 5 (8), 10516-10527, 2022 | 34 | 2022 |
| Cost-effective quantum mechanical approach for predicting thermodynamic and mechanical stability of pure-silica zeolites M Cutini, B Civalleri, P Ugliengo ACS omega 4 (1), 1838-1846, 2019 | 21 | 2019 |
| Band gap modification of ZnO and ZnS through solid solution formation for applications in photocatalysis JN Hart, M Cutini, NL Allan Energy Procedia 60, 32-36, 2014 | 20 | 2014 |
| Method Dependence of Proline Ring Flexibility in the Poly-l-Proline Type II Polymer M Cutini, M Corno, P Ugliengo Journal of Chemical Theory and Computation 13 (1), 370-379, 2017 | 16 | 2017 |
| Adhesion, friction and tribochemical reactions at the diamond–silica interface M Cutini, G Forghieri, M Ferrario, MC Righi Carbon 203, 601-610, 2023 | 14 | 2023 |
| Decoding collagen triple helix stability by means of hybrid DFT simulations M Cutini, M Bocus, P Ugliengo The Journal of Physical Chemistry B 123 (34), 7354-7364, 2019 | 13 | 2019 |
| Elucidating the nature of interactions in collagen triple-helix wrapping M Cutini, S Pantaleone, P Ugliengo The Journal of Physical Chemistry Letters 10 (24), 7644-7649, 2019 | 10 | 2019 |
| Balancing cost and accuracy in quantum mechanical simulations on collagen protein models M Cutini, I Bechis, M Corno, P Ugliengo Journal of Chemical Theory and Computation 17 (4), 2566-2574, 2021 | 9 | 2021 |
| Modeling phosphorene and interacting with iron: lubricating effects compared to graphene G Losi, M Cutini, P Restuccia, MC Righi Journal of Nanostructure in Chemistry 13 (5), 497-505, 2023 | 6 | 2023 |
| Infrared harmonic features of collagen models at B3LYP-D3: From amide bands to the THz region M Cutini, P Ugliengo The Journal of Chemical Physics 155 (7), 2021 | 5 | 2021 |
| Se Nanopowder Conversion into Lubricious 2D Selenide Layers by Tribochemical Reactions PG Grützmacher, M Cutini, E Marquis, M Rodríguez Ripoll, H Riedl, ... Advanced Materials 35 (42), 2302076, 2023 | 4 | 2023 |
| Cover Feature: Evidence of Mixed‐Ligand Complexes in Cu−CHA by Reaction of Cu Nitrates with NO/NH3 at Low Temperature (ChemCatChem 16/2019) C Negri, E Borfecchia, M Cutini, KA Lomachenko, TVW Janssens, ... ChemCatChem 11 (16), 3555-3555, 2019 | 2 | 2019 |
| Effects of surface chemical modifications on the adhesion of metallic interfaces. An high-throughput first-principle analysis E Poli, M Cutini, MA Nosir, O Chehaimi, MC Righi Applied Surface Science 664, 160177, 2024 | | 2024 |
| Indirect control of band gaps by manipulating local atomic environments using solid solutions and co-doping M Al-Farsi, M Cutini, NL Allan, JN Hart Journal of Physics: Materials 7 (2), 025013, 2024 | | 2024 |
| Se Nanopowder Conversion into Lubricious 2D Selenide Layers by Tribochemical Reactions (Adv. Mater. 42/2023) PG Grützmacher, M Cutini, E Marquis, M Rodríguez Ripoll, H Riedl, ... Advanced Materials 35 (42), 2370300, 2023 | | 2023 |
