Sfoglia per Autore
The structuring effect of the alkyl domains on the polar network of ionic liquid mixtures: a molecular dynamics study
2022 Mazzilli, Valerio; Wang, Yanting; Saielli, Giacomo
Activation of Vegetable Oils by Reaction with Maleic Anhydride as a Renewable Source in Chemical Processes: New Experimental and Computational NMR Evidence
2022 Lanero, Francesco; Bresolin, Bianca Maria; Scettri, Anna; Nogarole, Marco; Schievano, Elisabetta; Mammi, Stefano; Saielli, Giacomo; Famengo, Alessia; Semenzato, Alessandra; Tafuro, Giovanni; Sgarbossa, Paolo; Bertani, Roberta
NMR and DFT studies of the aggregation behavior of dicationic dialkyl DABCO bistriflimide salts in solution
2021 Safari, N.; Shirini, F.; Tajik, H.; Saielli, G.
Liquid-Liquid Phase Separation of Viologen Bistriflimide/Benzene Mixtures: Role of the Dual Ionic and Organic Nature of Ionic Liquids
2020 Li, Shen; Safari, Niloufar; Saielli, Giacomo; Wang, Yanting
One-bond 1J(15N─19F) spin–spin coupling constants of cationic fluorinating reagents: Insights from DFT calculations
2020 Saielli, G.
Xenon Dynamics in Ionic Liquids: A Combined NMR and MD Simulation Study
2020 Castiglione, F.; Saielli, G.; Mauri, M.; Simonutti, R.; Mele, A.
Comparison of the ionic liquid crystal phase of [C12C1im][BF4] and [C12C1im]Cl by atomistic MD simulations
2020 Saielli, G.
Computational NMR spectroscopy of ionic liquids: [C4C1Im]Cl/water mixtures
2020 Saielli, G.
Influence of the ion size on the stability of the smectic phase of ionic liquid crystals
2020 Cao, W.; Senthilkumar, B.; Causin, V.; Swamy, V. P.; Wang, Y.; Saielli, G.
Td-dft prediction of the intermolecular charge-transfer uv-vis spectra of viologen salts in solution
2020 Saielli, G.
A combined LX-NMR and molecular dynamics investigation of the bulk and local structure of ionic liquid crystals
2019 Di Pietro, M. E.; Margola, T.; Celebre, G.; De Luca, G.; Saielli, G.
A coarse-grained model of ionic liquid crystals: The effect of stoichiometry on the stability of the ionic nematic phase
2019 Saielli, G.; Satoh, K.
The 125Te Chemical Shift of Diphenyl Ditelluride: Chasing Conformers over a Flat Energy Surface
2019 Bortoli, Marco; DALLA TIEZZA, Marco; Muraro, Cecilia; Saielli, Giacomo; Orian, Laura
“Through-Space” Relativistic Effects on NMR Chemical Shifts of Pyridinium Halide Ionic Liquids
2019 Ariai, J.; Saielli, G.
Mesomorphic and electrooptical properties of viologens based on non-symmetric alkyl/polyfluoroalkyl functionalization and on an oxadiazolyl-extended bent core
2019 Pibiri, I.; Beneduci, A.; Carraro, M.; Causin, V.; Casella, G.; Corrente, G. A.; Chidichimo, G.; Pace, A.; Riccobono, A.; Saielli, G.
Computational Spectroscopy of Ionic Liquids for Bulk Structure Elucidation
2018 Saielli, G.
Metastable State during Melting and Solid-Solid Phase Transition of [CnMim][NO3] (n = 4-12) Ionic Liquids by Molecular Dynamics Simulation
2018 Cao, W.; Wang, Y.; Saielli, G.
Comparison of the mesomorphic behaviour of 1:1 and 1:2 mixtures of charged gay-berne GB(4.4,20.0,1,1) and lennard-jones particles
2018 Margola, T.; Satoh, K.; Saielli, G.
Ion pairing in 1-butyl-3-methylpyridinium halides ionic liquids studied by NMR and DFT calculations
2018 Paul, Vincent; Thulasiram, Hirekodathakallu V; Rastrelli, Federico; Saielli, Giacomo
New sulfur-containing polyarsenicals from the new caledonian sponge Echinochalina bargibanti
2018 Tahtinen, P.; Guella, G.; Saielli, G.; Debitus, C.; Hnawia, E.; Mancini, I.
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