Sfoglia per Autore
A DFT study of the vicinal 3J(119Sn,13C) and 3J(119Sn,1H) coupling constants in trimethyl- and chlorodimethyl-stannyl propanoates
2013 Bagno, Alessandro; Girolamo, Casella; Francesco, Ferrante; Saielli, Giacomo
Effect of the chain length on the structure of ionic liquids: From spatial heterogeneity to ionic liquid crystals
2013 Ji, Y.; Shi, R.; Wang, Y.; Saielli, G.
Diffusion mechanisms in smectic ionic liquid crystals: Insights from coarse-grained MD simulations
2013 Saielli, G.; Voth, G. A.; Wang, Y.
Spectroscopic signatures of the carbon buckyonions C60@C180 and C60@C240: a dispersion-corrected DFT study
2013 Girolamo, Casella; Bagno, Alessandro; Saielli, Giacomo
Reactivity of auranofin with selenols and thiols - Implications for the anticancer activity of gold(I) compounds
2013 DI SARRA, Francesca; Fresch, Barbara; Bini, Riccardo; Saielli, Giacomo; Bagno, Alessandro
Thermal behaviour and electrochemical properties of bis(trifluoromethanesulfonyl)amide and dodecatungstosilicate viologen dimers
2012 Bonchio, Marcella; Carraro, Mauro; Girolamo, Casella; Causin, Valerio; Rastrelli, Federico; Saielli, Giacomo
Ionic liquid crystals based on viologens and viologen dimers
2012 Bonchio, Marcella; Carraro, Mauro; G., Casella; Causin, Valerio; Rastrelli, Federico; Saielli, Giacomo
Computational 19F NMR. 1. General Features
2012 Saielli, G.; Bini, R.; Bagno, Alessandro
Ionic Liquid Crystals
2012 Causin, Valerio; Saielli, G.
Observation of scalar nuclear spin-spin coupling in van der Waals complexes
2012 Ledbetter, M. P.; Saielli, G.; Bagno, Alessandro; Tran, N.; Romalis, M. V.
Understanding the extraordinary deshielding of 129Xe in a permetalated cryptophane by relativistic DFT
2012 Bagno, Alessandro; Saielli, G.
Oxadiazolyl-pyridines and perfluoroalkyl-carboxylic acids as building blocks for protic ionic liquids: crossing the thin line between ionic and hydrogen bonded materials
2012 I., Pibiri; A., Pace; S., Buscemi; Causin, Valerio; Rastrelli, Federico; Saielli, Giacomo
MD simulation of the mesomorphic behaviour of 1-hexadecyl-3- methylimidazolium nitrate: Assessment of the performance of a coarse-grained force field
2012 Saielli, G.
Addressing the Stereochemistry of Complex Organic Molecules by Density Functional Theory-NMR: Vannusal B in Retrospective
2011 Saielli, G.; Nicolaou, K. C.; Ortiz, A.; Bagno, Alessandro
Relativistic DFT calculations of the NMR properties and reactivity of transition metal methane sigma-complexes: insights on C–H bond activation
2011 Bagno, Alessandro; Saielli, G.
Bulky melamine-based Zn-porphyrin tweezer as a CD probe of molecular chirality
2011 Carofiglio, Tommaso; Ghislaine, Vantomme; NEGRÓN ABRIL, YASHIRA L.; Lubian, Elisa; Saielli, Giacomo; Menegazzo, Ileana; Roselynn, Cordero; Gloria, Proni; Koji, Nakanishi; Nina, Berova
DFT study of the interaction free energy of π-π complexes of fullerenes with buckybowls and viologen dimers
2011 Casella, G.; Saielli, G.
Ionic self assembly in the design of fluorinated ionic liquid crystals (ILCs)
2011 Pibiri, I.; Saielli, G.; Causin, Valerio; Palumbo Piccionello, A.; Pace, A.; Buscemi, S.
Differential solvation free energies of oxonium and ammonium ions: Insights from quantum chemical calculations
2010 Saielli, G.
A DFT study of the Karplus-type dependence of vicinal 3J(Sn-C-X- C), X=N,O,S, in organotin(iv) compounds: Application to conformationally flexible systems
2010 Casella, G.; Ferrante, F.; Saielli, G.
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file disponibili solo agli amministratori
- file sotto embargo
- nessun file disponibile