Development and Validation of the B3LYP/N07D Computational Model for Structural Parameter and Magnetic Tensors of Large Free Radicals by Barone, Vincenzo, Cimino, Paola, Stendardo, Emiliano

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CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study by Barone, Vincenzo, Biczysko, Malgorzata, Bloino, Julien, Cimino, Paola, Penocchio, Emanuele, Puzzarini, Cristina

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On the Driving Force of the Excited-State Proton Shuttle in the Green Fluorescent Protein: A Time-Dependent Density Functional Theory (TD-DFT) Study of the Intrinsic Reaction Path by Petrone, Alessio, Cimino, Paola, Donati, Greta, Hratchian, Hrant P, Frisch, Michael J, Rega, Nadia

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Insight into the Mechanism of Action of Marine Cytotoxic Thiazinoquinones by Imperatore, Concetta, Cimino, Paola, Cebrián-Torrejón, Gerardo, Persico, Marco, Aiello, Anna, Senese, Maria, Fattorusso, Caterina, Menna, Marialuisa, Doménech-Carbó, Antonio

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Accurate and feasible computations of structural and magnetic properties of large free radicals: The PBE0/N07D model by Barone, Vincenzo, Cimino, Paola

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Formation of cross-linked adducts between guanine and thymine mediated by hydroxyl radical and one-electron oxidation: a theoretical study by Labet, Vanessa, Morell, Christophe, Grand, André, Cadet, Jean, Cimino, Paola, Barone, Vincenzo

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Magnetic Interactions in Phenyl-Bridged Nitroxide Diradicals: Conformational Effects by Multireference and Broken Symmetry DFT Approaches by Barone, Vincenzo, Cacelli, Ivo, Cimino, Paola, Ferretti, Alessandro, Monti, Susanna, Prampolini, Giacomo

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Evidence of Excited-State Vibrational Mode Governing the Photorelaxation of a Charge-Transfer Complex by Coppola, Federico, Cimino, Paola, Petrone, Alessio, Rega, Nadia

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Validation of the B3LYP/N07D and PBE0/N07D Computational Models for the Calculation of Electronic g-Tensors by Barone, Vincenzo, Cimino, Paola

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Tetracyanoethylene $$\hbox {Na}^+$$/$$\hbox {K}^+$$ radical anion coordination sites unveiled via electronic and vibrational fingerprints by Coppola, Federico, Carfora, Raoul, Cimino, Paola, Petrone, Alessio, Rega, Nadia

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Tetracyanoethylene Na+/K+ radical anion coordination sites unveiled via electronic and vibrational fingerprints by Coppola, Federico, Carfora, Raoul, Cimino, Paola, Petrone, Alessio, Rega, Nadia

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Electronic and Vibrational Manifold of Tetracyanoethylene–Chloronaphthalene Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio Molecular Dynamics by Coppola, Federico, Cimino, Paola, Perrella, Fulvio, Crisci, Luigi, Petrone, Alessio, Rega, Nadia

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Progressive multifocal leukoencephalopathy in an ever-treated pulmonary sarcoidosis by Primicerio, Giulia Carolina, Muroni, Antonella, Cimino, Paola, Defazio, Giovanni

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Exploring the Franck-Condon region of a photoexcited charge transfer complex in solution to interpret femtosecond stimulated Raman spectroscopy: excited state electronic structure... by Coppola, Federico, Cimino, Paola, Raucci, Umberto, Chiariello, Maria Gabriella, Petrone, Alessio, Rega, Nadia

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Writing tremor in Parkinson’s disease: frequency and associated clinical features by Mascia, Marcello Mario, Orofino, Gianni, Cimino, Paola, Cadeddu, Gianluca, Ercoli, Tommaso, Defazio, Giovanni

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Accurate Infrared (IR) Spectra for Molecules Containing the CN Moiety by Anharmonic Computations with the Double Hybrid B2PLYP Density Functional by Vazart, Fanny, Latouche, Camille, Cimino, Paola, Barone, Vincenzo

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Spread of segmental/multifocal idiopathic adult-onset dystonia to a third body site by Ercoli, Tommaso, Erro, Roberto, Fabbrini, Giovanni, Pellicciari, Roberta, Girlanda, Paolo, Terranova, Carmen, Avanzino, Laura, Di Biasio, Francesca, Barone, Paolo, Esposito, Marcello, De Joanna, Gabriella, Eleopra, Roberto, Bono, Francesco, Manzo, Lucia, Bentivoglio, Anna Rita, Petracca, Martina, Mascia, Marcello Mario, Albanese, Alberto, Castagna, Anna, Ceravolo, Roberto, Altavista, Maria Concetta, Scaglione, Cesa, Magistrelli, Luca, Zibetti, Maurizio, Bertolasi, Laura, Coletti Moja, Mario, Cotelli, Maria Sofia, Cossu, Giovanni, Minafra, Brigida, Pisani, Antonio, Misceo, Salvatore, Modugno, Nicola, Romano, Marcello, Cassano, Daniela, Berardelli, Alfredo, Defazio, Giovanni, Cimino, Paola, Scannapieco, Sara, Ferrazzano, Gina, Brigandì, Amelia, Habetswallner, Francesco, Pascarella, Angelo, Ialongo, Tamara, Ramella, Marina, Mazzucchi, Sonia, Moschella, Vincenzo

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Structural revision of halipeptins: synthesis of the thiazoline unit and isolation of halipeptin C by Della Monica, Carmela, Randazzo, Antonio, Bifulco, Giuseppe, Cimino, Paola, Aquino, Maurizio, Izzo, Irene, De Riccardis, Francesco, Gomez-Paloma, Luigi

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From ascorbic acid to furan derivatives: the gas phase acid catalyzed degradation of vitamin C by Cimino, Paola, Troiani, Anna, Pepi, Federico, Garzoli, Stefania, Salvitti, Chiara, Di Rienzo, Brunella, Barone, Vincenzo, Ricci, Andreina

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Delayed seropositivity in a patient with anti-LGI1 limbic encephalitis by Cadeddu, Gianluca Ignazio, Floris, Gianluca, Mascia, Marcello Mario, Melis, Marta, Cimino, Paola, Sechi, Maria Margherita, Defazio, Giovanni

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