CIMINO, Paola
CIMINO, Paola
Ab initio computation of spectroscopic parameters as a tool for the structural elucidation of organic systems.
2007-01-01 Barone, Vincenzo; Cimino, Paola; Crescenzi, Orlando; Pavone, Michele
Ab Initio Modeling of CW-ESR Spectra of the Double Spin Labeled Peptide Fmoc-(Aib-Aib-TOAC)2-Aib-OMe in Acetonitrile
2007-01-01 Zerbetto, M; Carlotto, S; Polimeno, A; Corvaja, C; Franco, L; Toniolo, C; Formaggio, F; Barone, V; Cimino, Paola
Accurate and feasible computations of structural and magnetic properties of large free radicals: The PBE0/N07D model
2008-01-01 Vincenzo, Barone; Cimino, Paola
Accurate Infrared (IR) Spectra for Molecules Containing the C≡N Moiety by Anharmonic Computations with the Double Hybrid B2PLYP Density Functional
2015-01-01 Vazart, Fanny; Latouche, Camille; Cimino, Paola; Barone, Vincenzo
An integrated computational protocol for the accurate prediction of EPR and PNMR parameters of aminoxyl radicals in solution
2010-01-01 Barone, Vincenzo; Cimino, Paola; Pedone, Alfonso
Aplysiols A and B, squalene-derived polyethers from the mantle of the sea hare Aplysia dactylomela
2007-01-01 E., Manzo; M., Gavagnin; Bifulco, Giuseppe; Cimino, Paola; S., DI MICCO; M. L., Ciavatta; Y. W., Guo; G., Cimino
Calculation of Magnetic Tensors and EPR Spectra for Free Radicals in Different Environments
2010-01-01 Cimino, Paola; Neese, Frank; Barone, Vincenzo
CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study
2015-01-01 Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; Cimino, Paola; Penocchio, Emanuele; Puzzarini, Cristina
Chemical composition of exopolysaccharide fractions from phytopathogenic strains of Pseudomonas syringae subsp. savastanoi.
1998-01-01 Cimino, Paola; P, Corsaro; M. M, Evidente; A, Lanzetta; R, Molinaro; A, Parrilli; M, Sfalanga; A, Guastini; M, Surico
Comparison of different theory models and basis sets in the calculation of 13C NMR chemical shifts of natural products
2004-01-01 Cimino, Paola; GOMEZ PALOMA, L.; Duca, D.; Riccio, Raffaele; Bifulco, Giuseppe
Cost-effective solar concentrators based on red fluorescent Zn(ii)–salicylaldiminato complex
2016-01-01 Minei, Pierpaolo; Fanizza, Elisabetta; Rodríguez, Antonio M.; Muñoz García, Ana B.; Cimino, Paola; Pavone, Michele; Pucci, Andrea
Cross-linked adducts between guanine and thymine mediated by hydroxyl radical and one-electron oxidation: a theoretical study
2008-01-01 Vanessa, Labet; Christophe, Morell; Andrè, Grand; Jean, Cadet; Cimino, Paola; Vincenzo, Barone
Development and Validation of an Integrated Computational Approach for the Modeling of cw-ESR Spectra of Free Radicals in Solution: p-(Methylthio)phenyl Nitronylnitroxide in Toluene as a Case Study.
2006-01-01 Barone, V; Brustolon, M; Cimino, Paola; Polimeno, A; Zerbetto, M; Zoleo, A.
Development and validation of the B3LYP/N07D computational model for structural parameter and magnetic tensors of large free radicals
2008-01-01 Vincenzo, Barone; Cimino, Paola; Emiliano, Stendardo
Double C-H Activation of Ethane by Metal-Free SO(2)(center dot+) Radical Cations
2010-01-01 de Petris, Giulia; Cartoni, Antonella; Troiani, Anna; Barone, Vincenzo; Cimino, Paola; Angelini, Giancarlo; Ursini, Ornella
Effects of molecular dynamics and solvation on the electronic structure of molecular probes
2012-01-01 Caruso, Pasquale; Causa, Mauro; Cimino, Paola; Crescenzi, Orlando; D'Amore, Maddalena; Improta, Roberto; Pavone, Michele; Rega, Nadia
Electronic and Vibrational Manifold of Tetracyanoethylene-Chloronaphthalene Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio Molecular Dynamics
2022-01-01 Coppola, F.; Cimino, P.; Perrella, F.; Crisci, L.; Petrone, A.; Rega, N.
EPR spectra of organic free radicals in solution from an integrated computational approach
2007-01-01 Barone, Vincenzo; Cimino, Paola; Pavone, Michele
Evidence of Variable H-Bond Network for Nitroxide Radicals in Protic Solvents
2006-01-01 Pavone, M; Sillanpaeae, A; Cimino, Paola; Crescenzi, O; Barone, V.
Excited State Time-Resolved Vibrational Dynamics: the Challenge of Charge Transfer Complexes
2019-01-01 Coppola, Federico; Cimino, Paola; Raucci, Umberto; Chiariello Maria, Gabriella; Rega, Nadia