| Electronic energy transfer in condensed phase studied by a polarizable QM/MM model C Curutchet, A Munoz-Losa, S Monti, J Kongsted, GD Scholes, ... Journal of chemical theory and computation 5 (7), 1838-1848, 2009 | 340 | 2009 |
| Lignin-Supported Heterogeneous Photocatalyst for the Direct Generation of H2O2 from Seawater A Gopakumar, P Ren, J Chen, BV Manzolli Rodrigues, HY Vincent Ching, ... Journal of the American Chemical Society 144 (6), 2603-2613, 2022 | 196 | 2022 |
| Exploring the conformational and reactive dynamics of biomolecules in solution using an extended version of the glycine reactive force field S Monti, A Corozzi, P Fristrup, KL Joshi, YK Shin, P Oelschlaeger, ... Physical Chemistry Chemical Physics 15 (36), 15062-15077, 2013 | 181 | 2013 |
| An atomically dispersed Mn-photocatalyst for generating hydrogen peroxide from seawater via the water oxidation reaction (WOR) P Ren, T Zhang, N Jain, HYV Ching, A Jaworski, G Barcaro, S Monti, ... Journal of the American Chemical Society 145 (30), 16584-16596, 2023 | 165 | 2023 |
| Novel imidazole-based combretastatin A-4 analogues: evaluation of their in vitro antitumor activity and molecular modeling study of their binding to the colchicine site of tubulin F Bellina, S Cauteruccio, S Monti, R Rossi Bioorganic & medicinal chemistry letters 16 (22), 5757-5762, 2006 | 158 | 2006 |
| Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data V Barone, I Cacelli, N De Mitri, D Licari, S Monti, G Prampolini Physical Chemistry Chemical Physics 15 (11), 3736-3751, 2013 | 131 | 2013 |
| Peptide−TiO2 Surface Interaction in Solution by Ab Initio and Molecular Dynamics Simulations V Carravetta, S Monti The journal of physical chemistry B 110 (12), 6160-6169, 2006 | 131 | 2006 |
| Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: nucleobases and their dimers T Fornaro, M Biczysko, S Monti, V Barone Physical Chemistry Chemical Physics 16 (21), 10112-10128, 2014 | 115 | 2014 |
| Exploration of the Conformational and Reactive Dynamics of Glycine and Diglycine on TiO2: Computational Investigations in the Gas Phase and in Solution S Monti, ACT van Duin, SY Kim, V Barone The Journal of Physical Chemistry C 116 (8), 5141-5150, 2012 | 110 | 2012 |
| Absorption and emission spectra of a flexible dye in solution: A computational time-dependent approach N De Mitri, S Monti, G Prampolini, V Barone Journal of chemical theory and computation 9 (10), 4507-4516, 2013 | 106 | 2013 |
| Reactive dynamics simulation of monolayer and multilayer adsorption of glycine on Cu (110) S Monti, C Li, V Carravetta The Journal of Physical Chemistry C 117 (10), 5221-5228, 2013 | 89 | 2013 |
| Peptide/TiO2 Surface Interaction: A Theoretical and Experimental Study on the Structure of Adsorbed ALA-GLU and ALA-LYS S Monti, V Carravetta, C Battocchio, G Iucci, G Polzonetti Langmuir 24 (7), 3205-3214, 2008 | 89 | 2008 |
| Interaction of β-sheet folds with a gold surface M Hoefling, S Monti, S Corni, KE Gottschalk PloS one 6 (6), e20925, 2011 | 84 | 2011 |
| New mechanistic insights into the lignin β-O-4 linkage acidolysis with ethylene glycol stabilization aided by multilevel computational chemistry A De Santi, S Monti, G Barcaro, Z Zhang, K Barta, PJ Deuss ACS sustainable chemistry & engineering 9 (5), 2388-2399, 2021 | 83 | 2021 |
| Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case M Biczysko, J Bloino, G Brancato, I Cacelli, C Cappelli, A Ferretti, A Lami, ... Theoretical Chemistry Accounts 131 (4), 1201, 2012 | 80 | 2012 |
| Environmental effects on the spectroscopic properties of gallic acid: A combined classical and quantum mechanical study C Cappelli, B Mennucci, S Monti The Journal of Physical Chemistry A 109 (9), 1933-1943, 2005 | 80 | 2005 |
| Free energy calculations of the adsorption of amino acid analogues at the aqueous titania interface S Monti, TR Walsh The Journal of Physical Chemistry C 114 (50), 22197-22206, 2010 | 78 | 2010 |
| Absorption and emission UV-Vis spectra of the TRITC fluorophore molecule in solution: a quantum mechanical study A Pedone, J Bloino, S Monti, G Prampolini, V Barone Physical Chemistry Chemical Physics 12 (4), 1000-1006, 2010 | 77 | 2010 |
| Cellulose nanofiber–graphene oxide biohybrids: disclosing the self-assembly and copper-ion adsorption using advanced microscopy and ReaxFF simulations C Zhu, S Monti, AP Mathew ACS nano 12 (7), 7028-7038, 2018 | 69 | 2018 |
| Fluorescence spectra of organic dyes in solution: a time dependent multilevel approach V Barone, J Bloino, S Monti, A Pedone, G Prampolini Physical Chemistry Chemical Physics 13 (6), 2160-2166, 2011 | 69 | 2011 |
