Pubblicazioni

The dramatic effect of N-methylimidazole on trans axial ligand binding to ferric heme: experiment and theory

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Aarabi, Mohammad; Omidyan, Reza; Soorkia, Satchin; Grégoire, Gilles; Broquier, Michel; Crestoni, Maria-Elisa; de la Lande, Aurélien; Soep, Benoît; Shafizadeh, Niloufar

Effects of temperature and pressure on the optical and vibrational properties of thermoelectric SnSe

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Efthimiopoulos, Ilias; Berg, Matthias; Bande, Annika; Puskar, Ljiljana; Ritter, Eglof; Xu, Wei; Marcelli, Augusto; Ortolani, Michele; Harms, Martin; Müller, Jan; Speziale, Sergio; Koch-Müller, Monika; Liu, Yong; Zhao, Li-Dong; Schade, Ulrich

Block copolymers as bile salt sequestrants: intriguing structures formed in a mixture of an oppositely charged amphiphilic block copolymer and bile salt

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Schillén, Karin; Galantini, Luciano; Du, Guanqun; Del Giudice, Alessandra; Alfredsson, Viveka; Carnerup, Anna M; Pavel, Nicolae V; Masci, Giancarlo; Nyström, Bo

Solvation of Zn 2+ ion in 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids: A molecular dynamics and X-ray absorption study

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Busato, M.; D'Angelo, P.; Melchior, A.

Ice crystallization observed in highly supercooled confined water

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Stefanutti, E.; Bove, L. E.; Lelong, G.; Ricci, M. A.; Soper, A. K.; Bruni, F.

Electronic structure modifications induced by increased molecular complexity: from triphenylamine to m-MTDATA

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Zhang, T.; Brumboiu, I. E.; Lanzilotto, V.; Grazioli, C.; Guarnaccio, A.; Johansson, F. O. L.; Coreno, M.; De Simone, M.; Santagata, A.; Brena, B.; Puglia, C.

Neutron spin echo monitoring of segmental-like diffusion of water confined in the cores of carbon nanotubes

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Parmentier, Alexandra; Maccarini, Marco; De Francesco, Alessio; Scaccia, Luisa; Rogati, Giovanna; Czakkel, Orsolya; De Luca, Francesco

The effect of ionic strength and phosphate ions on the construction of redox polyelectrolyte-enzyme self-assemblies

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ZAPPI, DANIELE; Coria-Oriundo, Lucy L; Piccinini, Esteban; Gramajo, Marcos; von Bilderling, Catalina; Pietrasanta, Lía I; Azzaroni, Omar; Battaglini, Fernando

Solvation structure of lanthanide(iii) bistriflimide salts in acetonitrile solution: A molecular dynamics simulation and EXAFS investigation

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Migliorati, V.; Filipponi, Alessandro; Sessa, F.; Lapi, A.; Serva, A.; D'Angelo, P.

Structural features of selected protic ionic liquids based on a super-strong base

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Triolo, Alessandro; Lo Celso, Fabrizio; Ottaviani, Carlo; Ji, Pengju; Appetecchi, Giovanni Battista; Leonelli, Francesca; Keeble, Dean S; Russina, Olga

Stabilizing lead halide perovskites with quaternary ammonium cations. The case of tetramethylammonium lead iodide

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Ciccioli, A.; Panetta, R.; Luongo, A.; Brunetti, B.; Vecchio Ciprioti, S.; Mele, M. L.; Latini, A.

Theoretical-computational modelling of the temperature dependence of the folding-unfolding thermodynamics and kinetics: the case of a trp-cage

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
D'Abramo, M.; Del Galdo, S.; Amadei, A.

Controlling ionic conductivity through transprotein electropores in human aquaporin 4: A non-equilibrium molecular-dynamics study

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Bernardi, M.; Marracino, P.; Liberti, M.; Garate, J. -A.; Burnham, C. J.; Apollonio, F.; English, N. J.

Computational acceleration of prospective dopant discovery in cuprous iodide

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Grauzinyte, M.; Botti, S.; Marques, M. A. L.; Goedecker, S.; Flores-Livas, J. A.

Peroxy self-reaction leading to the formation of furfural

2019 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Smith, A. R.; Di Muzio, S.; Ramondo, F.; Meloni, G.

On the coordination of Zn2+ion in Tf2N-based ionic liquids: Structural and dynamic properties depending on the nature of the organic cation

2018 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Sessa, Francesco; Migliorati, Valentina; Serva, Alessandra; Lapi, Andrea; Aquilanti, Giuliana; Mancini, Giordano; D'Angelo, Paola

An experimental and theoretical investigation of XPS and NEXAFS of 5-halouracils

2018 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Castrovilli, M. C.; Bolognesi, P.; Bodo, E.; Mattioli, G.; Cartoni, A.; Avaldi, L.

Complexation of halide ions to tyrosine: role of non-covalent interactions evidenced by IRMPD spectroscopy

2018 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Corinti, Davide; Gregori, Barbara; Guidoni, Leonardo; Scuderi, Debora; Mcmahon, Terry B.; Chiavarino, Barbara; Fornarini, Simonetta; Crestoni, Maria Elisa

The effect of ether-functionalisation in ionic liquids analysed by DFT calculation, infrared spectra, and Kamlet-Taft parameters

2018 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Tsurumaki, A.; Trequattrini, F.; Palumbo, O.; Panero, S.; Paolone, A.; Navarra, M. A.

From ascorbic acid to furan derivatives: the gas phase acid catalyzed degradation of vitamin C

2018 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Cimino, Paola; Troiani, Anna; Pepi, Federico; Garzoli, Stefania; Salvitti, Chiara; Di Rienzo, Brunella; Barone, Vincenzo; Ricci, Andreina

Real time evolution of unprotected protonated galactosamine probed by IRMPD spectroscopy

2018 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Fraschetti, C.; Guarcini, L.; Zazza, C.; Mannina, L.; Circi, S.; Piccirillo, S.; Chiavarino, B.; Filippi, A.

Extending the perturbed matrix method beyond the dipolar approximation: comparison of different levels of theory

2018 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ZANETTI POLZI, Laura; Del Galdo, Sara; Daidone, Isabella; D'Abramo, Marco; Barone, Vincenzo; Aschi, Massimiliano; Amadei, Andrea

Effects of nanostructuring on the bond strength and disorder in V2O5cathode material for rechargeable ion-batteries

2018 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Olszewski, Wojciech; Isturiz, Irene; Marini, Carlo; Avila, Marta; Okubo, Masashi; Li, Huiqiao; Zhou, Haoshen; Mizokawa, Takashi; Saini, Naurang Lal; Simonelli, Laura

Determination of the local structure of Sr2-xMxIrO4(M = K, La) as a function of doping and temperature

2018 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Terashima, Kensei; Paris, Eugenio; Salas-Colera, Eduardo; Simonelli, Laura; Joseph, Boby; Wakita, Takanori; Horigane, Kazumasa; Fujii, Masanori; Kobayashi, Kaya; Rie, Horie; Akimitsu, Jun; Muraoka, Yuji; Yokoya, Takayoshi; Saini, Naurang Lal

Bile acid derivative-based catanionic mixtures: versatile tools for superficial charge modulation of supramolecular lamellae and nanotubes

2018 - PHYSICAL CHEMISTRY CHEMICAL PHYSICS
di Gregorio, Maria Chiara; Severoni, Emilia; Travaglini, Leana; Gubitosi, Marta; Sennato, Simona; Mura, Francesco; Redondo-Gómez, Carlos; Jover, Aida; Pavel, Nicolae Viorel; Galantini, Luciano

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