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Mostrati risultati da 1 a 20 di 120
Titolo Data di pubblicazione Autore(i) File
Molecular aggregation phenomena in solution: An energy dispersive X-ray diffraction study of imidazole concentrated water solutions. 1-gen-1999 Gontrani, Lorenzo; Caminiti, Ruggero; Bencivenni, Luigi; Sadun, Claudia
Glycine and alanine: a theoretical study of solvent effects upon energetics and molecular response properties 1-gen-2000 Gontrani, Lorenzo; B., Mennucci; J., Tomasi
Hydrogen bonding in barbituric and 2-thiobarbituric acids: a theoretical and FT-IR study 1-gen-2001 Ramondo, Fabio; Pieretti, Andrea; Gontrani, Lorenzo; Bencivenni, Luigi
Energy dispersive X-ray diffraction and molecular dynamics meet: The structure of liquid pyrrole 1-gen-2006 Gontrani, Lorenzo; Fabio, Ramondo; Caminiti, Ruggero
Furan and thiophene in liquid phase: An X-ray and molecular dynamics study 1-gen-2006 Gontrani, Lorenzo; Fabio, Ramondo; Caminiti, Ruggero
Dimerisation of urea in water solution: a quantum mechanical investigation 1-gen-2007 Ramondo, F; Bencivenni, Luigi; Caminiti, Ruggero; Pieretti, A; Gontrani, Lorenzo
PURE AND SOLVATED AZOLES: A COMBINED THEORETICAL AND X-RAY DIFFRACTION STUDY 1,2,3 TRIAZOLE 1-gen-2008 Bellagamba, Marco; Campetella, M; Bencivenni, Luigi; Gontrani, Lorenzo; Guidoni, L; Mancini, G; Pieretti, A; Sadun, Claudia; Ramondo, F.
Computational methods applied to the discovery of stem cell factor ligands 1-gen-2008 Alcaro, S; Gontrani, Lorenzo; Incani, O; Ortuso, F.
Morphology and Relaxation processes in a Rtil: the case of [C6mim][Tf2N]. 1-gen-2008 Triolo, A; Russina, Olga; Fazio, B; Gontrani, Lorenzo; Caminiti, Ruggero; Hardacre, C; Mullan, C; Pappas, C; Beiner, M.
Nuovi composti estrogenici ad azione cicatrizzante 1-gen-2008 Brufani, Mario; Caminiti, Ruggero; Ceccacci, Francesca; Maura, Feligioni; Filocamo, Luigi; Gontrani, Lorenzo; LA BELLA, Angela; Leonelli, Francesca; MARINI BETTOLO, Rinaldo; Migneco, Luisa Maria; Claudio, Sperduto
A study of cyclohexane, piperidine and morpholine with X-ray diffraction and molecular simulations 1-gen-2008 Gontrani, Lorenzo; Fabio, Ramondo; Caracciolo, Giulio; Caminiti, Ruggero
Synthesis, biological evaluation, and molecular modeling studies of rebeccamycin analogues modified in the carbohydrate moiety 1-gen-2008 Fabio, Animati; Marco, Berettoni; Mario, Bigioni; Monica, Binaschi; Patrizia, Felicetti; Gontrani, Lorenzo; Ottaviano, Incani; Andrea, Madami; Edith, Monteagudo; Lauso, Olivieri; Stefano, Resta; Cristina, Rossi; Amalia, Cipollone
Overcoming the Inadequacy of X-ray Powder Diffraction in Reliable Hydrogen Location with the Aid of First Principles Calculations: Crystal Structure Determination of Orotaldehyde Monohydrate 1-gen-2009 Leonardo, Guidoni; Gontrani, Lorenzo; Bencivenni, Luigi; Sadun, Claudia; Ballirano, Paolo
Liquid Structure of Trihexyltetradecylphosphonium Chloride at Ambient Temperature: An X-ray Scattering and Simulation Study 1-gen-2009 Gontrani, Lorenzo; Russina, Olga; F., Lo Celso; Caminiti, Ruggero; Gary, Annat; Alessandro, Triolo
Hydration of diazoles in water solution: pyrazole. A theoretical and X-ray diffraction study 1-gen-2009 Ramondo, Fabio; Luana, Tanzi; Marco, Campetella; Gontrani, Lorenzo; Giordano, Mancini; Andrea, Pieretti; Sadun, Claudia
UV-vis spectra of the anticancer campothecin family drugs in aqueous solution: specific spectroscopic signatures unraveled by a combined computational and experimental study 1-gen-2009 N., Sanna; G., Chillemi; Gontrani, Lorenzo; A., Grandi; G., Mancini; S., Castelli; G., Zagotto; C., Zazza; V., Barone; A., Desideri
An Energy Dispersive study of liquid dimethyl carbonate 1-gen-2009 Gontrani, Lorenzo; Russina, Olga; Triolo, A; MARINCOLA F., C; Caminiti, Ruggero
Morphology and intermolecular dynamics of 1-Alkyl-3-methylimidazolium bis{(trifluoromethane)sulfonyl}amide ionic liquids: Structural and dynamic evidence of nanoscale segregation 1-gen-2009 Russina, Olga; Alessandro, Triolo; Gontrani, Lorenzo; Caminiti, Ruggero; Dong, Xiao; L. G., Hines; Richard A., Bartsch; Edward L., Quitevis; Natalia, Pleckhova; Kenneth R., Seddon
An energy dispersive x-ray scattering and molecular dynamics study of liquid dimethyl carbonate 1-gen-2009 Gontrani, Lorenzo; Russina, Olga; Flaminia Cesare, Marincola; Caminiti, Ruggero
Structural determination of ionic liquids with theoretical methods: C 8mimBr and C8mimCl. Strength and weakness of current force fields 1-gen-2010 Bodo, Enrico; Gontrani, Lorenzo; A., Triolo; Caminiti, Ruggero
Mostrati risultati da 1 a 20 di 120
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