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Conformational Isomerisms and Nano-Aggregation in Substituted Alkylammonium Nitrates Ionic Liquids: an X-ray and Computational Study of 2-OMeEAN 1-gen-2013 Campetella, Marco; Gontrani, Lorenzo; Bodo, Enrico; Ceccacci, Francesca; Flaminia Cesare, Marincola; Caminiti, Ruggero
Two different models to predict Ionic-liquid diffraction patterns. Fixed-charge versus polarizable potentials 1-gen-2015 Campetella, Marco; Gontrani, Lorenzo; Leonelli, Francesca; Bencivenni, Luigi; Caminiti, Ruggero
Prediction of Infrared Spectra of Ionic Liquids with ab initio Molecular Dynamics 1-gen-2015 Bencivenni, Luigi; Bodo, Enrico; Bovi, Daniele; Campetella, Marco; Guidoni, Leonardo; Gontrani, Lorenzo; Masci, Giancarlo; Lupi, Stefano; Ramondo, Fabio; Tanzi, Luana
Structural studies on choline-carboxylate bio-ionic liquids by x-ray scattering and molecular dynamics 1-gen-2015 Tanzi, Luana; Ramondo, Fabio; Caminiti, Ruggero; Campetella, Marco; DI LUCA, Andrea; Gontrani, Lorenzo
Is a medium-range order pre-peak possible for ionic liquids without an aliphatic chain? 1-gen-2015 Campetella, Marco; DE SANTIS, Serena; Caminiti, Ruggero; Ballirano, Paolo; Sadun, Claudia; Tanzi, Luana; Gontrani, Lorenzo
Cholinium-amino acid based ionic liquids: a new method of synthesis and physico-chemical characterization 1-gen-2015 DE SANTIS, Serena; Masci, Giancarlo; Casciotta, Francesco; Caminiti, Ruggero; Scarpellini, Eleonora; Campetella, Marco; Gontrani, Lorenzo
Interaction and dynamics of ionic liquids based on choline and amino acid anions 1-gen-2015 Campetella, Marco; Bodo, Enrico; Caminiti, Ruggero; Martino, Antonio; D'Apuzzo, Fausto; Lupi, Stefano; Gontrani, Lorenzo
X‐Rays and Molecular Dynamics Reveal Halogen Bond in Liquid Acetonitriles 1-gen-2016 Gontrani, Lorenzo; Portalone, Gustavo; Campetella, Marco; Sadun, Claudia; Caminiti, Ruggero
Low-Q peak in X-ray patterns of choline-phenylalanine and homophenylalanine: a combined effect of chain and stacking 1-gen-2016 Campetella, Marco; Gontrani, Lorenzo; Scarpellini, Eleonora; Martino, D. C.
Theoretical study of ionic liquids based on the cholinium cation. Ab initio simulations of their condensed phases 1-gen-2016 Campetella, Marco; Bodo, Enrico; Montagna, Maria; DE SANTIS, Serena; Gontrani, Lorenzo
Structural and vibrational study of 2-MethoxyEthylAmmonium nitrate (2-OMeEAN): interpretation of experimental results with ab initio molecular dynamics 1-gen-2016 Campetella, M.; Bovi, D.; Caminiti, R.; Guidoni, L.; Bencivenni, L.; Gontrani, L.
Chloromethyl-oxirane and chloromethyl-thiirane in liquid phase: a joint experimental and quantum chemical study 1-gen-2016 Campetella, Marco; Bencivenni, Luigi; Caminiti, Ruggero; Zazza, Costantino; Di Trapani, S.; Martino, A.; Gontrani, Lorenzo
Glue function of optimally and overdoped cuprates from inversion of the Raman spectra 1-gen-2016 Fanfarillo, Laura; Mori, Matteo; Campetella, Marco; Grilli, Marco; Caprara, Sergio
Unexpected proton mobility in the bulk phase of cholinium-based ionic liquids: New insights from theoretical calculations 1-gen-2017 Campetella, Marco; Montagna, Maria; Gontrani, Lorenzo; Scarpellini, Eleonora; Bodo, Enrico
An X-ray and computational study of liquid pentylammonium nitrate 1-gen-2017 Gontrani, Lorenzo; Leonelli, Francesca; Campetella, Marco
A structural and theoretical study of the alkylammonium nitrates forefather: liquid methylammonium nitrate 1-gen-2017 Gontrani, Lorenzo; Caminiti, Ruggero; Salma, Umme; Campetella, Marco
Effect of alkyl chain length in protic ionic liquids: an AIMD perspective 1-gen-2017 Campetella, Marco; Macchiagodena, M.; Gontrani, Lorenzo; Kirchner, B.
Bio ionic liquids and water mixtures: a structural study 1-gen-2017 Gontrani, Lorenzo; Scarpellini, Eleonora; Caminiti, Ruggero; Campetella, Marco
Hydrogen bonding features in cholinium-based protic ionic liquids from molecular dynamics simulations 1-gen-2018 Campetella, Marco; Le Donne, Andrea; Daniele, Maddalena; Gontrani, Lorenzo; Lupi, Stefano; Bodo, Enrico; Leonelli, Francesca
Structure and dynamics of propylammonium nitrate-acetonitrile mixtures: An intricate multi-scale system probed with experimental and theoretical techniques 1-gen-2018 Campetella, Marco; Mariani, Alessandro; Sadun, Claudia; Wu, Boning; Castner, Edward W.; Gontrani, Lorenzo
Mostrati risultati da 1 a 20 di 25
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