MOCCI, FRANCESCA
MOCCI, FRANCESCA
DIPARTIMENTO DI SCIENZE CHIMICHE E GEOLOGICHE
17O Dynamic NMR and DFT investigation of bis(acyloxy)iodoarenes
2012-01-01 Fusaro, L; Mocci, Francesca; Luhmer, M; Cerioni, Giovanni
17O NMR spectroscopy of organic compounds containing the −O−O−group
2006-01-01 Cerioni, Giovanni; Mocci, Francesca
195Pt NMR and Molecular Dynamics Simulation Study of the Solvation of [PtCl6]2-in Water-Methanol and Water-Dimethoxyethane Binary Mixtures
2018-01-01 Engelbrecht, LEON DE VILLIERS; Mocci, F; Laaksonen, A; Koch, Kr
A quantum mechanics/molecular dynamics study of electric field gradient fluctuations in the liquid phase. The case of Na+ in aqueous solution
2013-01-01 Aidas, K; Ågren, H; Kongsted, J; Laaksonen, A; Mocci, Francesca
Active-sodium-promoted reductive cleavage of halogenated benzoic acids
2010-01-01 Azzena, U; Dettori, G; Mocci, S; Pisano, L; Cerioni, Giovanni; Mocci, Francesca
Are Weinreb Amides True Amides? Preliminary Results by a 13C and 17O NMR Spectroscopic Study
2013-01-01 Bernard, ANGELA MARIA; Cabiddu, MARIA GRAZIA; Cerioni, G; De Montis, S; Fusaro, L; Mocci, Francesca
At the root of L-lysine emission in aqueous solutions
2022-01-01 Stagi, L.; Farris, R.; de Villiers Engelbrecht, L.; Mocci, F.; Maria Carbonaro, C.; Innocenzi, P.
BASE SEQUENCE SPECIFICITY OF COUNTERION BINDING TO DNA: WHAT CAN MD SIMULATIONS TELL US?
2016-01-01 Atzori, Alessio; Liggi, Sonia; Laaksonen, AATTO ILMARI; Porcu, Massimiliano; Lyubartsev, Alexander; Saba, Giuseppe; Mocci, Francesca
Caging Polycations: Effect of Increasing Confinement on the Modes of Interaction of Spermidine3+ With DNA Double Helices
2022-01-01 Vasiliu, Tudor; Mocci, Francesca; Laaksonen, Aatto; Engelbrecht, Leon De Villiers; Perepelytsya, Sergiy
Carbon Nanodots from an In Silico Perspective
2022-01-01 Mocci, Francesca; de Villiers Engelbrecht, Leon; Olla, Chiara; Cappai, Antonio; Casula, Maria Francesca; Melis, Claudio; Stagi, Luigi; Laaksonen, Aatto; Carbonaro, Carlo Maria
Characterization of 2,5-diaryl-1,3,4-oxadiazolines by multinuclear magnetic resonance and density functional theory calculations. Investigation on a case of very remote Hammett correlation
2009-01-01 Cerioni, Giovanni; Maccioni, Elias; Cardia, MARIA CRISTINA; Vigo, Sara; Mocci, Francesca
Cholinium-Based Ionic Liquids from Hydroxycinnamic Acids as New Promising Bioactive Agents: A Combined Experimental and Theoretical Investigation
2021-01-01 Demurtas, Monica; Onnis, Valentina; Zucca, Paolo; Rescigno, Antonio; Lachowicz, Joanna Izabela; De Villiers Engelbrecht, Leon; Nieddu, Mariella; Ennas, Guido; Scano, Alessandra; Mocci, Francesca; Cesare Marincola, Flaminia
Coarse-Grained Simulation of Rodlike Higher-Order Quadruplex Structures at Different Salt Concentrations
2017-01-01 Rebič, Matúš; Mocci, Francesca; Uličný, Jozef; Lyubartsev, Alexander P.; Laaksonen, AATTO ILMARI
Combining MD simulations and NMR spectroscopy for molecular insight and methodological synergy: the integrated MD-NMR method
2015-01-01 Mocci, Francesca; Laaksonen, AATTO ILMARI
CompChem and NMR Probing Ionic Liquids
2014-01-01 Mocci, Francesca; Laaksonen, Aatto; Wang, Yong Lei; Saba, Giuseppe; Lai, Adolfo; CESARE MARINCOLA, Flaminia
Competitive binding exchange between alkali metal ions (K(+), Rb(+), and Cs(+)) and Na(+) ions bound to the dimeric quadruplex [d(G(4)T(4)G(4))](2): a (23)Na and (1)H NMR study
2009-01-01 CESARE MARINCOLA, Flaminia; Virno, Ada; Randazzo, Antonio; Mocci, Francesca; Saba, Giuseppe; Lai, Adolfo
Conformations of vicinal-triketones. A theoretical and O-17 NMR approach
2001-01-01 Cerioni, Giovanni; Plumitallo, A; Mocci, Francesca; Rappoport, Z; Rubin, Mb
DFT and multinuclear magnetic resonance studies of diazenedicarboxylates and related compounds
2009-01-01 Mocci, Francesca; Usai, Michele; Cerioni, Giovanni
DNA-Polyamine Interactions: Insight from Molecular Dynamics Simulations on the Sequence-Specific Binding of Spermidine3+
2022-01-01 Mocci, F.; Laaksonen, A.; Engelbrecht, L.; Vasiliu, T.; Perepelytsya, S.
Drying oil detected in mid-third Millennium B.C. Mesopotamian clay artifacts: Raman spectroscopy and DFT simulation study
2016-01-01 Chiriu, Daniele; Ricci, PIER CARLO; Carbonaro, CARLO MARIA; Nadali, Davide; Polcaro, Andrea; Mocci, Francesca