Extension of Computational Chemistry to the Study of Lanthanide(III) Ions in Aqueous Solution:  Implementation and Validation of a Continuum Solvent Approach von Cosentino, U, Villa, A, Pitea, D, Moro, G, Barone, V

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A cluster analysis of patients with schizophrenia in community care von LORA, Antonio, COSENTINO, Ugo, ROSSINI, Maria Stella, LANZARA, Dino

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Conformational Characterization of Lanthanide(III)−DOTA Complexes by ab Initio Investigation in Vacuo and in Aqueous Solution von Cosentino, Ugo, Villa, Alessandra, Pitea, Demetrio, Moro, Giorgio, Barone, Vincenzo, Maiocchi, Alessandro

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A combined use of global and local approaches in 3D-QSAR von Cosentino, U, Moro, G, Bonalumi, D, Bonati, L, Lasagni, M, Todeschini, R, Pitea, D

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Conformational Polymorphism of the PrP106−126 Peptide in Different Environments:  A Molecular Dynamics Study von Villa, Alessandra, Mark, Alan E, Saracino, Gloria A. A, Cosentino, Ugo, Pitea, Demetrio, Moro, Giorgio, Salmona, Mario

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Modeling and prediction of molecular properties. Theory of grid-weighted holistic invariant molecular (G-WHIM) descriptors von Todeschini, R., Moro, G., Boggia, R., Bonati, L., Cosentino, U., Lasagni, M., Pitea, D.

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Molecular electrostatic potential of substituted aromatic compounds: Factors affecting the differences between Ab Initio and semiempirical results von Bonati, L., Cosentino, U., Fraschini, E., Moro, G., Pitea, D.

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On the structure of polaronic defects in thiophene oligomers: a combined Hartree–Fock and Density Functional Theory study von Moro, Giorgio, Scalmani, Giovanni, Cosentino, Ugo, Pitea, Demetrio

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Correlation of geometrical features of muscarinic antagonists with activity von Cosentino, U., Ciechanowicz-Rutkowska, M., Oleksyn, B.J., Nitek, W.

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Theoretical investigation into the influence of conformational equilibria on the water-exchange process in magnetic resonance imaging contrast agents von Cosentino, Ugo, Pitea, Demetrio, Moro, Giorgio, Barone, Vincenzo, Villa, Alessandra, Muller, Robert N., Botteman, Francois

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Force Field Parametrization for Gadolinium Complexes Based on ab Initio Potential Energy Surface Calculations von Villa, Alessandra, Cosentino, Ugo, Pitea, Demetrio, Moro, Giorgio, Maiocchi, Alessandro

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Pharmacophore identification by molecular modeling and chemometrics: the case of HMG-CoA reductase inhibitors von Cosentino, U, Moro, G, Pitea, D, Scolastico, S, Todeschini, R, Scolastico, C

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On the zwitterionic nature of strongly twisted push-pull ethylenes: the case of 3-(1,3-diisopropyl-2-imidazolidinylidene)-2,4-pentanedione monohydrate, studied by x-ray diffraction... von Destro, R., Cosentino, U., Moro, G., Ortoleva, E., Pilati, T.

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Ab Initio Investigation of Gadolinium Complexes with Polyamino Carboxylate Ligands and Force Fields Parametrization of Metal−Ligand Interactions von Cosentino, Ugo, Moro, Giorgio, Pitea, Demetrio, Villa, Alessandra, Fantucci, Pier Carlo, Maiocchi, Alessandro, Uggeri, Fulvio

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Tetracycline and its analogues as inhibitors of amyloid fibrils: searching for a geometrical pharmacophore by theoretical investigation of their conformational behavior in aqueous... von Cosentino, Ugo, Varí, M Rosaria, Saracino, A A Gloria, Pitea, Demetrio, Moro, Giorgio, Salmona, Mario

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On the structure of bipolaronic defects in thiophene oligomers: a density functional study von Moro, Giorgio, Scalmani, Giovanni, Cosentino, Ugo, Pitea, Demetrio

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Critical review of the receptor model based on target transformation factor analysis von Moro, Giorgio, Lasagni, Marina, Rigamonti, Nicola, Cosentino, Ugo, Pitea, Demetrio

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Estimation of the toxicity equivalents of PCDD/PCDF mixtures from combustion sources when specific congener information is lacking: Preliminary results von Pitea, Demetrio, Lasagni, Marina, Bonati, Laura, Cosentino, Ugo

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Ab initio effective core potential calculations on lanthanide complexes: basis sets and electron correlation effects in the study of [Gd-(H2O)9]3 von Cosentino, U

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Synthesis and amnesia-reversal activity of a series of 7- and 5-membered 3-acylamino lactams von Angelucci, Luciano, Calvisi, Pina, Catini, Roberto, Cosentino, Ugo, Cozzolino, Roberto, De Witt, Paolo, Ghirardi, Orlando, Giannessi, Fabio, Giuliani, Alessandro

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