| Theoretical study of silver-ion-mediated base pairs: The case of C–Ag–C and C–Ag–A systems M Fortino, T Marino, N Russo The Journal of Physical Chemistry A 119 (21), 5153-5157, 2015 | 45 | 2015 |
| Rationalizing the design and implementation of chiral hybrid perovskites A Pietropaolo, A Mattoni, G Pica, M Fortino, G Schifino, G Grancini Chem 8 (5), 1231-1253, 2022 | 44 | 2022 |
| Two-dimensional electronic spectroscopy reveals dynamics and mechanisms of solvent-driven inertial relaxation in polar BODIPY dyes L Bolzonello, A Polo, A Volpato, E Meneghin, M Cordaro, M Trapani, ... The Journal of Physical Chemistry Letters 9 (5), 1079-1085, 2018 | 40 | 2018 |
| Assessment of interatomic parameters for the reproduction of borosilicate glass structures via DFT‐GIPAW calculations M Fortino, A Berselli, N Stone‐Weiss, L Deng, A Goel, J Du, A Pedone Journal of the American Ceramic Society 102 (12), 7225-7243, 2019 | 36 | 2019 |
| On the simulation of vibrationally resolved electronic spectra of medium-size molecules: the case of styryl substituted BODIPYs M Fortino, J Bloino, E Collini, L Bolzonello, M Trapani, F Faglioni, ... Physical Chemistry Chemical Physics 21 (7), 3512-3526, 2019 | 27 | 2019 |
| Combined experimental and computational approach toward the structural design of borosilicate-based bioactive glasses N Stone-Weiss, H Bradtmüller, M Fortino, M Bertani, RE Youngman, ... The Journal of Physical Chemistry C 124 (32), 17655-17674, 2020 | 26 | 2020 |
| The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl‐based mimetics D Cesario, M Fortino, T Marino, F Nunzi, N Russo, E Sicilia Journal of Computational Chemistry 40 (8), 944-951, 2019 | 17 | 2019 |
| Mechanism of Thyroxine Deiodination by Naphthyl‐Based Iodothyronine Deiodinase Mimics and the Halogen Bonding Role: A DFT Investigation M Fortino, T Marino, N Russo, E Sicilia Chemistry–A European Journal 21 (23), 8554-8560, 2015 | 15 | 2015 |
| Role of specific solute–solvent interactions on the photophysical properties of distyryl substituted BODIPY derivatives M Fortino, E Collini, A Pedone, J Bloino Physical Chemistry Chemical Physics 22 (19), 10981-10994, 2020 | 14 | 2020 |
| Non‐uniform self‐folding of helical poly (fluorenevinylene) derivatives in the solid state leading to amplified circular dichroism and circularly polarized light emission P Wu, A Pietropaolo, M Fortino, S Shimoda, K Maeda, T Nishimura, ... Angewandte Chemie 134 (43), e202210556, 2022 | 12 | 2022 |
| Unraveling the internal conversion process within the Q-bands of a chlorophyll-like-system through surface-hopping molecular dynamics simulations M Fortino, E Collini, J Bloino, A Pedone The Journal of Chemical Physics 154 (9), 2021 | 11 | 2021 |
| Multinuclear metal-binding ability of the N-terminal region of human copper transporter Ctr1: Dependence upon pH and metal oxidation state MI Nardella, M Fortino, A Barbanente, G Natile, A Pietropaolo, F Arnesano Frontiers in Molecular Biosciences 9, 897621, 2022 | 8 | 2022 |
| Multi-replica biased sampling for photoswitchable π-conjugated polymers M Fortino, C Cozza, M Bonomi, A Pietropaolo The Journal of Chemical Physics 154 (17), 2021 | 8 | 2021 |
| Amplified Chirality Transfer to Aromatic Molecules through Non‐specific Inclusion by Amorphous, Hyperbranched Poly (fluorenevinylene) Derivatives P Wu, A Pietropaolo, M Fortino, M Bando, K Maeda, T Nishimura, ... Angewandte Chemie International Edition 62 (29), e202305747, 2023 | 6 | 2023 |
| Photo racemization of 2, 2′‐dihydroxy‐1, 1′‐binaphthyl derivatives Q Wang, A Pietropaolo, M Fortino, Z Song, M Bando, N Naga, T Nakano Chirality 34 (2), 317-324, 2022 | 6 | 2022 |
| Simulation workflows to predict the circular dichroism and circularly polarized luminescence of chiral materials M Fortino, G Schifino, A Pietropaolo Chirality 35 (10), 673-680, 2023 | 5 | 2023 |
| Atomistic modeling of metal–ligand chirality transfer and chiroptical properties of lead and tin hybrid perovskites M Fortino, A Mattoni, A Pietropaolo Journal of Materials Chemistry C 11 (27), 9135-9143, 2023 | 5 | 2023 |
| A DFT investigation of a bulky biomimetic model catalyzing the 5′-outer ring deiodination of thyroxine M Fortino, T Marino, N Russo, E Sicilia Journal of molecular modeling 22, 1-6, 2016 | 5 | 2016 |
| Mechanistic investigation of trimethylamine-N-oxide reduction catalysed by biomimetic molybdenum enzyme models M Fortino, T Marino, N Russo, E Sicilia Physical Chemistry Chemical Physics 18 (12), 8428-8436, 2016 | 5 | 2016 |
| Synthesis and characterization of polymethine dyes carrying thiobarbituric and carboxylic acid moieties A Desvals, M Fortino, C Lefebvre, J Rogier, C Michelin, S Alioui, ... New Journal of Chemistry 46 (19), 8971-8980, 2022 | 4 | 2022 |
