Sfoglia per Autore
Structural Features of the [C4mim][Cl] Ionic Liquid and Its Mixtures with Water: Insight from a 1H NMR Experimental and QM/MD Study
2021-01-01 Lengvinaitė, Dovilė; Kvedaraviciute, Sonata; Bielskutė, Stasė; Klimavicius, Vytautas; Balevicius, Vytautas; Mocci, Francesca; Laaksonen, Aatto; Aidas, Kęstutis
Electrochemically driven efficient enzymatic conversion of CO2 to formic acid with artificial cofactors
2021-01-01 Zhang, Z.; Vasiliu, T.; Li, F.; Laaksonen, A.; Mocci, F.; Ji, X.
Ionic liquids for CO2 electrochemical reduction
2021-01-01 Li, Fangfang; Mocci, Francesca; Zhang, Xiangping; Ji, Xiaoyan; Laaksonen, Aatto
Theoretical and Experimental Study of the Excess Thermodynamic Properties of Highly Nonideal Liquid Mixtures of Butanol Isomers + DBE
2021-01-01 Engelbrecht, Leon de Villiers; Farris, Riccardo; Vasiliu, Tudor; Demurtas, Monica; Piras, Alessandra; Cesare Marincola, Flaminia; Laaksonen, Aatto; Porcedda, Silvia; Mocci, Francesca
Microstructural and Dynamical Heterogeneities in Ionic Liquids
2020-01-01 Wang, Y. -L.; Li, B.; Sarman, S.; Mocci, F.; Lu, Z. -Y.; Yuan, J.; Laaksonen, A.; Fayer, M. D.
Novel homogeneous selective electrocatalysts for CO2 reduction: an electrochemical and computational study of cyclopentadienyl-phenylendiamino-cobalt complexes
2020-01-01 Melis, Nicola; Mocci, Francesca; Vacca, Annalisa; Pilia, Luca
Multigranular modeling of ionic liquids
2019-01-01 Wang, Yong-Lei; Sarman, Sten; Golets, Mikhail; Mocci, Francesca; Lu and Aatto Laaksonen, Zhong-Yuan
On the Charge-Transfer Excitations in Azobenzene Maleimide Compounds: A Theoretical Study
2019-01-01 Isac, Dragos Lucian; Airinei, Anton; Maftei, Dan; Humelnicu, Ionel; Mocci, Francesca; Laaksonen, Aatto; Pinteală, Mariana
On the Emission Properties of Carbon Dots: Reviewing Data and Discussing Models
2019-01-01 Carbonaro, Cm; Corpino, R; Salis, M; Mocci, F; Thakkar, Sv; Olla, C; Ricci, Pc
Pattern preferences of DNA nucleotide motifs by polyamines putrescine2+, spermidine3+ and spermine4
2019-01-01 Perepelytsya, Sergiy; Uličný, Jozef; Laaksonen, Aatto; 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
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
Inhomogeneity in ethylammonium nitrate–acetonitrile binary mixtures: The highest “low q excess” reported to date
2017-01-01 Mariani, Alessandro; Caminiti, Ruggero; Ramondo, Fabio; Salvitti, Giovanna; Mocci, Francesca; Lorenzo Gontrani, And
Molecular dynamics simulation study of parallel telomeric DNA quadruplexes at different ionic strengths: evaluation of water and ion models
2016-01-01 Rebič, Matúš; Laaksonen, AATTO ILMARI; Šponer, Jiří; Uličný, Jozef; Mocci, Francesca
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
Reducing properties of 1,2-dipyridyl-1,2-disodioethanes: Chemical validation of theoretical and electrochemical predictions
2016-01-01 Azzena, U.; Carraro, M.; Pisano, L.; Mocci, Francesca; Antonello, S.; Maran, F.
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
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
Multiscale simulations of human telomeric G-quadruplex DNA
2015-01-01 Rebic, M.; Mocci, Francesca; Laaksonen, A.; Ulicny, J.
Rotation dynamics do not determine the unexpected isotropy of methyl radical EPR spectra
2015-01-01 Benetis, N. P.; Dmitriev, Y.; Mocci, Francesca; Laaksonen, A.
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