| Development and validation of the B3LYP/N07D computational model for structural parameter and magnetic tensors of large free radicals V Barone, P Cimino, E Stendardo Journal of chemical theory and computation 4 (5), 751-764, 2008 | 256 | 2008 |
| Comparison of different theory models and basis sets in the calculation of 13C NMR chemical shifts of natural products P Cimino, L Gomez‐Paloma, D Duca, R Riccio, G Bifulco Magnetic Resonance in Chemistry 42 (S1), S26-S33, 2004 | 225 | 2004 |
| Accurate and feasible computations of structural and magnetic properties of large free radicals: The PBE0/N07D model V Barone, P Cimino Chemical Physics Letters 454 (1-3), 139-143, 2008 | 124 | 2008 |
| Interplay of stereoelectronic and enviromental effects in tuning the structural and magnetic properties of a prototypical spin probe: further insights from a first principle … M Pavone, P Cimino, F De Angelis, V Barone Journal of the American Chemical Society 128 (13), 4338-4347, 2006 | 85 | 2006 |
| Validation of the B3LYP/N07D and PBE0/N07D Computational Models for the Calculation of Electronic g-Tensors V Barone, P Cimino Journal of Chemical Theory and Computation 5 (1), 192-199, 2009 | 83 | 2009 |
| CC/DFT route toward accurate structures and spectroscopic features for observed and elusive conformers of flexible molecules: pyruvic acid as a case study V Barone, M Biczysko, J Bloino, P Cimino, E Penocchio, C Puzzarini Journal of chemical theory and computation 11 (9), 4342-4363, 2015 | 79 | 2015 |
| Extension of the AMBER force-field for the study of large nitroxides in condensed phases: an ab initio parameterization E Stendardo, A Pedone, P Cimino, MC Menziani, O Crescenzi, V Barone Physical Chemistry Chemical Physics 12 (37), 11697-11709, 2010 | 75 | 2010 |
| Interplay of intrinsic, environmental, and dynamic effects in tuning the EPR parameters of nitroxides: further insights from an integrated computational approach M Pavone, P Cimino, O Crescenzi, A Sillanpaeae, V Barone The Journal of Physical Chemistry B 111 (30), 8928-8939, 2007 | 65 | 2007 |
| Aplysiols A and B, squalene-derived polyethers from the mantle of the sea hare Aplysia dactylomela E Manzo, M Gavagnin, G Bifulco, P Cimino, S Di Micco, ML Ciavatta, ... Tetrahedron 63 (40), 9970-9978, 2007 | 60 | 2007 |
| Formation of cross-linked adducts between guanine and thymine mediated by hydroxyl radical and one-electron oxidation: a theoretical study V Labet, C Morell, A Grand, J Cadet, P Cimino, V Barone Organic & Biomolecular Chemistry 6 (18), 3300-3305, 2008 | 53 | 2008 |
| Extension of the J-Based Configuration Analysis to Multiple Conformer Equilibria: An Application to Sapinofuranone A P Cimino, G Bifulco, A Evidente, M Abouzeid, R Riccio, L Gomez-Paloma Organic Letters 4 (16), 2779-2782, 2002 | 52 | 2002 |
| Unraveling Solvent-Driven Equilibria between α- and 310-Helices through an Integrated Spin Labeling and Computational Approach S Carlotto, P Cimino, M Zerbetto, L Franco, C Corvaja, M Crisma, ... Journal of the American Chemical Society 129 (36), 11248-11258, 2007 | 50 | 2007 |
| An integrated computational protocol for the accurate prediction of EPR and PNMR parameters of aminoxyl radicals in solution V Barone, P Cimino, A Pedone Magnetic Resonance in Chemistry 48 (S1), S11-S22, 2010 | 47 | 2010 |
| Development and Validation of an Integrated Computational Approach for the Modeling of cw-ESR Spectra of Free Radicals in Solution: p-(Methylthio)phenyl … V Barone, M Brustolon, P Cimino, A Polimeno, M Zerbetto, A Zoleo Journal of the American Chemical Society 128 (49), 15865-15873, 2006 | 46 | 2006 |
| Stereochemical analysis of natural products. Approaches relying on the combination of NMR spectroscopy and computational methods R Riccio, G Bifulco, P Cimino, C Bassarello, L Gomez-Paloma Pure and applied chemistry 75 (2-3), 295-308, 2003 | 45 | 2003 |
| Insight into the mechanism of action of plakortins, simple 1, 2-dioxane antimalarials O Taglialatela-Scafati, E Fattorusso, A Romano, F Scala, V Barone, ... Organic & Biomolecular Chemistry 8 (4), 846-856, 2010 | 44 | 2010 |
| Evidence of variable H-bond network for nitroxide radicals in protic solvents M Pavone, A Sillanpää, P Cimino, O Crescenzi, V Barone The Journal of Physical Chemistry B 110 (33), 16189-16192, 2006 | 43 | 2006 |
| Cost-effective solar concentrators based on red fluorescent Zn (II)–salicylaldiminato complex P Minei, E Fanizza, AM Rodríguez, AB Muñoz-García, P Cimino, ... RSC advances 6 (21), 17474-17482, 2016 | 40 | 2016 |
| Ab Initio Modeling of CW-ESR Spectra of the Double Spin Labeled Peptide Fmoc-(Aib-Aib-TOAC)2-Aib-OMe in Acetonitrile M Zerbetto, S Carlotto, A Polimeno, C Corvaja, L Franco, C Toniolo, ... The Journal of Physical Chemistry B 111 (10), 2668-2674, 2007 | 38 | 2007 |
| Structural revision of halipeptins: synthesis of the thiazoline unit and isolation of halipeptin C C Della Monica, A Randazzo, G Bifulco, P Cimino, M Aquino, I Izzo, ... Tetrahedron letters 43 (33), 5707-5710, 2002 | 38 | 2002 |
