| Role of potassium in the enhancement of the catalytic activity of calcium oxide towards tar reduction P Knutsson, V Cantatore, M Seemann, PL Tam, I Panas Applied Catalysis B: Environmental 229, 88-95, 2018 | 56 | 2018 |
| Ab initio modeling of 2D layered organohalide lead perovskites A Fraccarollo, V Cantatore, G Boschetto, L Marchese, M Cossi The Journal of Chemical Physics 144 (16), 2016 | 43 | 2016 |
| Simulation of the π→ π∗ photodynamics of azobenzene: Decoherence and solvent effects V Cantatore, G Granucci, M Persico Computational and Theoretical Chemistry 1040, 126-135, 2014 | 42 | 2014 |
| Photoisomerization of self-assembled monolayers of azobiphenyls: Simulations highlight the role of packing and defects V Cantatore, G Granucci, G Rousseau, G Padula, M Persico The Journal of Physical Chemistry Letters 7 (19), 4027-4031, 2016 | 36 | 2016 |
| Oxidation driven permeation of Iron oxide scales by chloride from experiment guided first-principles modeling V Cantatore, MA Olivas Ogaz, J Liske, T Jonsson, JE Svensson, ... The Journal of Physical Chemistry C 123 (42), 25957-25966, 2019 | 16 | 2019 |
| Design strategy of a graphene based bio-sensor for glucose V Cantatore, S Pandit, V Mokkapati, S Schindler, S Eigler, I Mijakovic, ... Carbon 137, 343-348, 2018 | 15 | 2018 |
| Communication: Towards catalytic nitric oxide reduction via oligomerization on boron doped graphene V Cantatore, I Panas The Journal of Chemical Physics 144 (15), 2016 | 12 | 2016 |
| Evidence for electron transfer between graphene and non‐covalently bound π‐systems SM Brülls, V Cantatore, Z Wang, PL Tam, P Malmberg, J Stubbe, B Sarkar, ... Chemistry–A European Journal 26 (29), 6694-6702, 2020 | 11 | 2020 |
| The photo-orientation of azobenzene in viscous solutions, simulated by a stochastic model V Cantatore, G Granucci, M Persico Physical Chemistry Chemical Physics 16 (45), 25081-25092, 2014 | 11 | 2014 |
| Possible socket-plug standard connection for functionalized graphene–Validation by DFT V Cantatore, I Panas Carbon 104, 40-46, 2016 | 9 | 2016 |
| Photo-orientation of axial molecules P Van Leuven, V Cantatore, M Persico Physical Chemistry Chemical Physics 14 (6), 1957-1964, 2012 | 8 | 2012 |
| Stochastic model for photoinduced anisotropy V Cantatore, G Granucci, M Persico Journal of Computational Chemistry 33 (10), 1015-1022, 2012 | 4 | 2012 |
| Insights into the zinc effect on radio-cobalt deposition on stainless steel piping surfaces under BWR conditions from experiment guided 1st principles modelling V Cantatore, C Geers, J Chen, I Panas Journal of Nuclear Materials 540, 152361, 2020 | 2 | 2020 |
| Enhanced Manifold of States Achieved in Heterostructures of Iron Selenide and Boron-Doped Graphene V Cantatore, I Panas Condensed Matter 2, 34, 2017 | 2 | 2017 |
| Towards multifunctional coating in the boron-doped graphene/copper system V Cantatore, I Panas Carbon 115, 375-379, 2017 | 2 | 2017 |
| Simulations of nonadiabatic dynamics in complex systems: application to self assembled monolayers V CANTATORE | 1 | 2014 |
| Bonding between π-Conjugated Polycations and Monolayer Graphene: Decisive Role of Anions SM Brulls, V Cantatore, PL Tam, P Malmberg, E Ahlberg, I Panas, S Eigler, ... The Journal of Physical Chemistry C 127 (4), 1917-1928, 2023 | | 2023 |
| Pt accelerated coarsening of A15 precipitates in Cr-Si alloys AS Ulrich, AJ Knowles, V Cantatore, A Bhowmik, MT Wharmby, C Geers, ... Materials & Design 218, 110655, 2022 | | 2022 |
| Multi-Purpose Functionalization of Boron-Doped Graphene: insights from in silico experiments V Cantatore | | 2018 |
Itai PanasProfessor of Theoretical ChemistryVerified email at chalmers.se
