Prodotti della ricerca
UNICA IRIS Institutional Research Information System
IRIS è il sistema di gestione integrata dei dati della ricerca (persone, progetti, pubblicazioni, attività) adottato dall'Università degli Studi di Cagliari dal mese di luglio 2015.
Mostra risultati da 1 a 44 di 44
Esportazione
| Titolo | Data di pubblicazione | Autore(i) | Rivista | Editore |
|---|---|---|---|---|
| Cholinium-Based Ionic Liquids from Hydroxycinnamic Acids as New Promising Bioactive Agents: A Combined Experimental and Theoretical Investigation | 2021 | Demurtas, Monica; Onnis, Valentina; Zucca, Paolo; Rescigno, Antonio; Lachowicz, Joanna Izabela; D...e Villiers Engelbrecht, Leon; Nieddu, Mariella; Ennas, Guido; Scano, Alessandra; Mocci, Francesca; Cesare Marincola, Flaminia | ACS SUSTAINABLE CHEMISTRY & ENGINEERING | |
| Microstructural and Dynamical Heterogeneities in Ionic Liquids | 2020 | Wang, Y. -L.; Li, B.; Sarman, S.; Mocci, F.; Lu, Z. -Y.; Yuan, J.; Laaksonen, A.; Fayer, M. D. | CHEMICAL REVIEWS | |
| Novel homogeneous selective electrocatalysts for CO2 reduction: an electrochemical and computational study of cyclopentadienyl-phenylendiamino-cobalt complexes | 2020 | Melis, Nicola; Mocci, Francesca; Vacca, Annalisa; Pilia, Luca | SUSTAINABLE ENERGY & FUELS | |
| On the Charge-Transfer Excitations in Azobenzene Maleimide Compounds: A Theoretical Study | 2019 | Isac, Dragos Lucian; Airinei, Anton; Maftei, Dan; Humelnicu, Ionel; Mocci, Francesca; Laaksonen, ...Aatto; Pinteală, Mariana | JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY | |
| On the Emission Properties of Carbon Dots: Reviewing Data and Discussing Models | 2019 | Carbonaro, Cm; Corpino, R; Salis, M; Mocci, F; Thakkar, Sv; Olla, C; Ricci, Pc | C | |
| Multigranular modeling of ionic liquids | 2019 | Wang, Yong-Lei; Sarman, Sten; Golets, Mikhail; Mocci, Francesca; Lu and Aatto Laaksonen, Zhong-Yuan | Rasmus Fehrmann and Catherine Santini | |
| Pattern preferences of DNA nucleotide motifs by polyamines putrescine2+, spermidine3+ and spermine4 | 2019 | Perepelytsya, Sergiy; Uličný, Jozef; Laaksonen, Aatto; Mocci, Francesca | NUCLEIC ACIDS RESEARCH | |
| 195Pt NMR and Molecular Dynamics Simulation Study of the Solvation of [PtCl6]2-in Water-Methanol and Water-Dimethoxyethane Binary Mixtures | 2018 | Engelbrecht, LEON DE VILLIERS; Mocci, F; Laaksonen, A; Koch, Kr | INORGANIC CHEMISTRY | |
| Coarse-Grained Simulation of Rodlike Higher-Order Quadruplex Structures at Different Salt Concentrations | 2017 | Rebič, Matúš; Mocci, Francesca; Uličný, Jozef; Lyubartsev, Alexander P.; Laaksonen, Aatto | ACS OMEGA | |
| Inhomogeneity in ethylammonium nitrate–acetonitrile binary mixtures: The highest “low q excess” reported to date | 2017 | Mariani, Alessandro; Caminiti, Ruggero; Ramondo, Fabio; Salvitti, Giovanna; Mocci, Francesca; Lor...enzo Gontrani, And | THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS | |
| Drying oil detected in mid-third Millennium B.C. Mesopotamian clay artifacts: Raman spectroscopy and DFT simulation study | 2016 | Chiriu, Daniele; Ricci, Pier Carlo; Carbonaro, Carlo Maria; Nadali, Davide; Polcaro, Andrea; Mocc...i, Francesca | MICROCHEMICAL JOURNAL | |
| BASE SEQUENCE SPECIFICITY OF COUNTERION BINDING TO DNA: WHAT CAN MD SIMULATIONS TELL US? | 2016 | Atzori, Alessio; Liggi, Sonia; Laaksonen, AATTO ILMARI; Porcu, Massimiliano; Lyubartsev, Alexande...r; Saba, Giuseppe; Mocci, Francesca | CANADIAN JOURNAL OF CHEMISTRY | |
| Reducing properties of 1,2-dipyridyl-1,2-disodioethanes: Chemical validation of theoretical and electrochemical predictions | 2016 | Azzena, U.; Carraro, M.; Pisano, L.; Mocci, F.; Antonello, S.; Maran, F. | RSC ADVANCES | |
| Molecular dynamics simulation study of parallel telomeric DNA quadruplexes at different ionic strengths: evaluation of water and ion models | 2016 | Rebič, Matúš; Laaksonen, AATTO ILMARI; Šponer, Jiří; Uličný, Jozef; Mocci, Francesca | JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL | |
| Combining MD simulations and NMR spectroscopy for molecular insight and methodological synergy: the integrated MD-NMR method | 2015 | Mocci, Francesca; Laaksonen, AATTO ILMARI | Royal Society of Chemistry | |
| Rotation dynamics do not determine the unexpected isotropy of methyl radical EPR spectra | 2015 | Benetis, N. P.; Dmitriev, Y.; Mocci, Francesca; Laaksonen, A. | JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY | |
| Multiscale simulations of human telomeric G-quadruplex DNA | 2015 | Rebic, M.; Mocci, Francesca; Laaksonen, A.; Ulicny, J. | JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL | |
| The structural organization of N-methyl-2-pyrrolidone + water mixtures: A densitometry, x-ray diffraction, and molecular dynamics study | 2014 | Usula M; Mocci F; Cesare Marincola F; Porcedda S; Gontrani L; Caminiti R | THE JOURNAL OF CHEMICAL PHYSICS | |
| Thermo-physical properties of ammonium-based ionic liquid + N-methyl-2-pyrrolidone mixtures at 298.15K | 2014 | Usula M; Matteoli E; Leonelli F; Mocci F; Cesare Marincola F; Gontrani L; Porcedda S | FLUID PHASE EQUILIBRIA | |
| NMR, calorimetry, and computational studies of aqueous solutions of N-methyl-2-pyrrolidone | 2014 | Usula M; Porcedda S; Mocci F; Gontrani L; Caminiti R; Cesare Marincola F | JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL | |
| Glucose oxidase from Penicillium amagasakiense: Characterization of the transition state of its denaturation from molecular dynamics simulations | 2014 | Todde, G.; Hovmoller, S.; Laaksonen, A.; Mocci, Francesca | PROTEINS | |
| CompChem and NMR Probing Ionic Liquids | 2014 | Mocci, Francesca; Laaksonen, Aatto; Wang, Yong-Lei; Saba, Giuseppe; Lai, Adolfo; Cesare Marincola..., Flaminia | SOFT AND BIOLOGICAL MATTER | Springer International Publishing Switzerland |
| Non-Uniform FFT and Its Applications in Particle Simulations | 2014 | Wang, Yong-Lei; Hedman, Fredrik; Porcu, Massimiliano; Mocci, Francesca; Laaksonen, Aatto | APPLIED MATHEMATICS | |
| Partial atomic charges and their impact on the free energy of solvation | 2013 | Jämbeck JPM; Mocci F; Lyubartsev AP; Laaksonen A | JOURNAL OF COMPUTATIONAL CHEMISTRY | |
| Are Weinreb Amides True Amides? Preliminary Results by a 13C and 17O NMR Spectroscopic Study | 2013 | Bernard A; Cabiddu M; Cerioni G; De Montis S; Fusaro L; Mocci F | Società Chimica Italiana | |
| A quantum mechanics/molecular dynamics study of electric field gradient fluctuations in the liquid phase. The case of Na+ in aqueous solution | 2013 | Aidas K; Ågren H; Kongsted J; Laaksonen A; Mocci F | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | |
| Molecular Dynamics Investigations on Base Sequence Specificity of Counterion Binding to DNA | 2012 | Atzori, Alessio; Liggi, Sonia; Laaksonen, Aatto; Lyubartsev, Alexander; Saba, Giuseppe; Porcu, Ma...ssimiliano; Mocci, Francesca | BIOPHYSICAL JOURNAL | |
| Insight into nucleic acid counterion interactions from inside molecular dynamics simulations is “worth its salt” | 2012 | Mocci F; Laaksonen A | SOFT MATTER | |
| Dynamic NMR of low-sensitivity fast-relaxing nuclei: 17O NMR and DFT study of acetoxysilanes | 2012 | Fusaro L; Mameli G; Mocci F; Luhmer M; Cerioni G | MAGNETIC RESONANCE IN CHEMISTRY | |
| M.DynaMix Studies of Solvation, Solubility and Permeability | 2012 | Laaksonen A; Lyubartsev A; Mocci F | Intech | |
| 17O Dynamic NMR and DFT investigation of bis(acyloxy)iodoarenes | 2012 | Fusaro L; Mocci F; Luhmer M; Cerioni G | MOLECULES | |
| Insight into the Dynamics of Lanthanide-DTPA Complexes As Revealed by Oxygen-17 NMR | 2012 | Fusaro L; Mocci F; Muller RN; Luhmer M | INORGANIC CHEMISTRY | |
| Active-sodium-promoted reductive cleavage of halogenated benzoic acids | 2010 | Azzena U; Dettori G; Mocci S; Pisano L; Cerioni G; Mocci F | TETRAHEDRON | |
| Theoretical study on the stability of zwitterionic and neutral form of glycine in water and methanol | 2010 | F.Mocci; Pivetta T; G. Saba | ACTA OF THE INTERNATIONAL SYMPOSIA ON METAL COMPLEXES | |
| 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 | Cerioni Giovanni; Maccioni Elias; Cardia Maria Cristina; Vigo Sara; Mocci F | MAGNETIC RESONANCE IN CHEMISTRY | |
| On the Fluxional Behavior of Dess-Martin Periodinane: A DFT and (17)O NMR Study | 2009 | Fusaro L; Luhmer M; Cerioni G; Mocci F | JOURNAL OF ORGANIC CHEMISTRY | |
| DFT and multinuclear magnetic resonance studies of diazenedicarboxylates and related compounds | 2009 | Mocci F; Usai M; Cerioni G | MAGNETIC RESONANCE IN CHEMISTRY | |
| Torsion angle relationship of the (17)O NMR chemical shift in alpha,beta-unsaturated carbonyl compounds | 2009 | Mocci F | MAGNETIC RESONANCE IN CHEMISTRY | |
| 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 | Cesare Marincola Flaminia; Virno Ada; Randazzo Antonio; Mocci F; Saba Giuseppe; Lai Adolfo | MAGNETIC RESONANCE IN CHEMISTRY | |
| Solution structure of some λ3 iodanes: An 17O NMR and DFT study | 2007 | Mocci, Francesca; Uccheddu, G; Frongia, Angelo; Cerioni, Giovanni | JOURNAL OF ORGANIC CHEMISTRY | |
| 17O NMR spectroscopy of organic compounds containing the −O−O−group | 2006 | CERIONI G; MOCCI F | John Wiley & Sons Ltd | |
| Molecular Dynamics Investigation of 23Na NMR Relaxation in Oligomeric DNA Aqueous Solution | 2004 | MOCCI F; AATTO LAAKSONEN; ALEXANDER LYUBARTSEV; AND GIUSEPPE SABA | JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL | |
| Molecular Dynamics Simulations of A * T-Rich Oligomers: Sequence- Specific Binding of Na+ in the Minor Groove of B-DNA | 2003 | Mocci F; Saba G | PEPTIDE SCIENCES | |
| Conformations of vicinal-triketones. A theoretical and O-17 NMR approach | 2001 | Cerioni G; Plumitallo A; Mocci F; Rappoport Z; Rubin MB | JOURNAL OF THE CHEMICAL SOCIETY. PERKIN TRANSACTIONS 2 |
