| 1 |
Multinuclear Solid-State NMR and DFT Studies on PhosphanidoBridged Diplatinum Complexes
Mastrorilli P, Todisco S, Bagno A, Gallo V, Latronico M, Fortuno C, Gudat D
Inorganic Chemistry, 54(12), 5855, 2015 |
| 2 |
Insights on the Isotropic-to-Smectic A Transition in Ionic Liquid Crystals from Coarse-Grained Molecular Dynamics Simulations: The Role of Microphase Segregation
Saielli G, Bagno A, Wang YT
Journal of Physical Chemistry B, 119(9), 3829, 2015 |
| 3 |
Understanding Cage Effects in Imidazolium Ionic Liquids by Xe-129 NMR: MD Simulations and Relativistic DFT Calculations
Saielli G, Bagno A, Castiglione F, Simonutti R, Mauri M, Mele A
Journal of Physical Chemistry B, 118(48), 13963, 2014 |
| 4 |
Addressing the Stereochemistry of Complex Organic Molecules by Density Functional Theory-NMR: Vannusal B in Retrospective
Saielli G, Nicolaou KC, Ortiz A, Zhang HJ, Bagno A
Journal of the American Chemical Society, 133(15), 6072, 2011 |
| 5 |
Thermoinduced Lipid Oxidation of a Culinary Oil: A Kinetic Study of the Oxidation Products by Magnetic Resonance Spectroscopies
Silvagni A, Franco L, Bagno A, Rastrelli F
Journal of Physical Chemistry A, 114(37), 10059, 2010 |
| 6 |
Metal-mediated J coupling in DNA base pairs: Relativistic DFT predictions
Bagno A, Saielli G
Journal of the American Chemical Society, 129(37), 11360, 2007 |
| 7 |
Nuclear spin relaxation driven by intermolecular dipolar interactions: The role of solute-solvent pair correlations in the modeling of spectral density functions
Frezzato D, Rastrelli F, Bagno A
Journal of Physical Chemistry B, 110(11), 5676, 2006 |
| 8 |
Computing the NMR spectrum of a bulk ionic liquid phase by QM/MM methods
Bagno A, D'Amico F, Saielli G
Journal of Physical Chemistry B, 110(46), 23004, 2006 |
| 9 |
Preferential solvation and self-association in alcohol-acetonitrile mixtures observed through mass spectrometric analysis of clusters: Influence of alkyl chain length
Rastrelli F, Saielli G, Bagno A, Wakisaka A
Journal of Physical Chemistry B, 108(11), 3479, 2004 |
| 10 |
Through-space spin-spin coupling in acetylenic systems. Ab initio and DFT calculations
Bagno A, Casella G, Saielli G, Scorrano G
International Journal of Molecular Sciences, 4(4), 193, 2003 |
