Sfoglia per Autore
Molecular aggregation phenomena in solution: An energy dispersive X-ray diffraction study of imidazole concentrated water solutions.
1999 Gontrani, Lorenzo; Caminiti, Ruggero; Bencivenni, Luigi; Sadun, Claudia
Glycine and alanine: a theoretical study of solvent effects upon energetics and molecular response properties
2000 Gontrani, Lorenzo; B., Mennucci; J., Tomasi
Hydrogen bonding in barbituric and 2-thiobarbituric acids: a theoretical and FT-IR study
2001 Ramondo, Fabio; Pieretti, Andrea; Gontrani, Lorenzo; Bencivenni, Luigi
Furan and thiophene in liquid phase: An X-ray and molecular dynamics study
2006 Gontrani, Lorenzo; Fabio, Ramondo; Caminiti, Ruggero
Energy dispersive X-ray diffraction and molecular dynamics meet: The structure of liquid pyrrole
2006 Gontrani, Lorenzo; Fabio, Ramondo; Caminiti, Ruggero
Dimerisation of urea in water solution: a quantum mechanical investigation
2007 Ramondo, F; Bencivenni, Luigi; Caminiti, Ruggero; Pieretti, A; Gontrani, Lorenzo
Synthesis, biological evaluation, and molecular modeling studies of rebeccamycin analogues modified in the carbohydrate moiety
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
Morphology and Relaxation processes in a Rtil: the case of [C6mim][Tf2N].
2008 Triolo, A; Russina, Olga; Fazio, B; Gontrani, Lorenzo; Caminiti, Ruggero; Hardacre, C; Mullan, C; Pappas, C; Beiner, M.
A study of cyclohexane, piperidine and morpholine with X-ray diffraction and molecular simulations
2008 Gontrani, Lorenzo; Fabio, Ramondo; Caracciolo, Giulio; Caminiti, Ruggero
PURE AND SOLVATED AZOLES: A COMBINED THEORETICAL AND X-RAY DIFFRACTION STUDY 1,2,3 TRIAZOLE
2008 Bellagamba, Marco; Campetella, M; Bencivenni, Luigi; Gontrani, Lorenzo; Guidoni, L; Mancini, G; Pieretti, A; Sadun, Claudia; Ramondo, F.
Nuovi composti estrogenici ad azione cicatrizzante
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
Computational methods applied to the discovery of stem cell factor ligands
2008 Alcaro, S; Gontrani, Lorenzo; Incani, O; Ortuso, F.
An Energy Dispersive study of liquid dimethyl carbonate
2009 Gontrani, Lorenzo; Russina, Olga; Triolo, A; MARINCOLA F., C; Caminiti, Ruggero
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
2009 Leonardo, Guidoni; Gontrani, Lorenzo; Bencivenni, Luigi; Sadun, Claudia; Ballirano, Paolo
UV-vis spectra of the anticancer campothecin family drugs in aqueous solution: specific spectroscopic signatures unraveled by a combined computational and experimental study
2009 N., Sanna; G., Chillemi; Gontrani, Lorenzo; A., Grandi; G., Mancini; S., Castelli; G., Zagotto; C., Zazza; V., Barone; A., Desideri
Hydration of diazoles in water solution: pyrazole. A theoretical and X-ray diffraction study
2009 Ramondo, Fabio; Luana, Tanzi; Marco, Campetella; Gontrani, Lorenzo; Giordano, Mancini; Andrea, Pieretti; Sadun, Claudia
An energy dispersive x-ray scattering and molecular dynamics study of liquid dimethyl carbonate
2009 Gontrani, Lorenzo; Russina, Olga; Flaminia Cesare, Marincola; Caminiti, Ruggero
Liquid Structure of Trihexyltetradecylphosphonium Chloride at Ambient Temperature: An X-ray Scattering and Simulation Study
2009 Gontrani, Lorenzo; Russina, Olga; F., Lo Celso; Caminiti, Ruggero; Gary, Annat; Alessandro, Triolo
Morphology and intermolecular dynamics of 1-Alkyl-3-methylimidazolium bis{(trifluoromethane)sulfonyl}amide ionic liquids: Structural and dynamic evidence of nanoscale segregation
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
Atomistic simulations of Imidazolium-based Ionic Liquids: current challenges for theoretical models.
2010 Bodo, Enrico; Gontrani, Lorenzo; Triolo, A; Caminiti, Ruggero
Titolo | Data di pubblicazione | Autore(i) | File |
---|---|---|---|
Molecular aggregation phenomena in solution: An energy dispersive X-ray diffraction study of imidazole concentrated water solutions. | 1999 | Gontrani, Lorenzo; Caminiti, Ruggero; Bencivenni, Luigi; Sadun, Claudia | |
Glycine and alanine: a theoretical study of solvent effects upon energetics and molecular response properties | 2000 | Gontrani, Lorenzo; B., Mennucci; J., Tomasi | |
Hydrogen bonding in barbituric and 2-thiobarbituric acids: a theoretical and FT-IR study | 2001 | Ramondo, Fabio; Pieretti, Andrea; Gontrani, Lorenzo; Bencivenni, Luigi | |
Furan and thiophene in liquid phase: An X-ray and molecular dynamics study | 2006 | Gontrani, Lorenzo; Fabio, Ramondo; Caminiti, Ruggero | |
Energy dispersive X-ray diffraction and molecular dynamics meet: The structure of liquid pyrrole | 2006 | Gontrani, Lorenzo; Fabio, Ramondo; Caminiti, Ruggero | |
Dimerisation of urea in water solution: a quantum mechanical investigation | 2007 | Ramondo, F; Bencivenni, Luigi; Caminiti, Ruggero; Pieretti, A; Gontrani, Lorenzo | |
Synthesis, biological evaluation, and molecular modeling studies of rebeccamycin analogues modified in the carbohydrate moiety | 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 | |
Morphology and Relaxation processes in a Rtil: the case of [C6mim][Tf2N]. | 2008 | Triolo, A; Russina, Olga; Fazio, B; Gontrani, Lorenzo; Caminiti, Ruggero; Hardacre, C; Mullan, C; Pappas, C; Beiner, M. | |
A study of cyclohexane, piperidine and morpholine with X-ray diffraction and molecular simulations | 2008 | Gontrani, Lorenzo; Fabio, Ramondo; Caracciolo, Giulio; Caminiti, Ruggero | |
PURE AND SOLVATED AZOLES: A COMBINED THEORETICAL AND X-RAY DIFFRACTION STUDY 1,2,3 TRIAZOLE | 2008 | Bellagamba, Marco; Campetella, M; Bencivenni, Luigi; Gontrani, Lorenzo; Guidoni, L; Mancini, G; Pieretti, A; Sadun, Claudia; Ramondo, F. | |
Nuovi composti estrogenici ad azione cicatrizzante | 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 | |
Computational methods applied to the discovery of stem cell factor ligands | 2008 | Alcaro, S; Gontrani, Lorenzo; Incani, O; Ortuso, F. | |
An Energy Dispersive study of liquid dimethyl carbonate | 2009 | Gontrani, Lorenzo; Russina, Olga; Triolo, A; MARINCOLA F., C; Caminiti, Ruggero | |
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 | 2009 | Leonardo, Guidoni; Gontrani, Lorenzo; Bencivenni, Luigi; Sadun, Claudia; Ballirano, Paolo | |
UV-vis spectra of the anticancer campothecin family drugs in aqueous solution: specific spectroscopic signatures unraveled by a combined computational and experimental study | 2009 | N., Sanna; G., Chillemi; Gontrani, Lorenzo; A., Grandi; G., Mancini; S., Castelli; G., Zagotto; C., Zazza; V., Barone; A., Desideri | |
Hydration of diazoles in water solution: pyrazole. A theoretical and X-ray diffraction study | 2009 | Ramondo, Fabio; Luana, Tanzi; Marco, Campetella; Gontrani, Lorenzo; Giordano, Mancini; Andrea, Pieretti; Sadun, Claudia | |
An energy dispersive x-ray scattering and molecular dynamics study of liquid dimethyl carbonate | 2009 | Gontrani, Lorenzo; Russina, Olga; Flaminia Cesare, Marincola; Caminiti, Ruggero | |
Liquid Structure of Trihexyltetradecylphosphonium Chloride at Ambient Temperature: An X-ray Scattering and Simulation Study | 2009 | Gontrani, Lorenzo; Russina, Olga; F., Lo Celso; Caminiti, Ruggero; Gary, Annat; Alessandro, Triolo | |
Morphology and intermolecular dynamics of 1-Alkyl-3-methylimidazolium bis{(trifluoromethane)sulfonyl}amide ionic liquids: Structural and dynamic evidence of nanoscale segregation | 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 | |
Atomistic simulations of Imidazolium-based Ionic Liquids: current challenges for theoretical models. | 2010 | Bodo, Enrico; Gontrani, Lorenzo; Triolo, A; Caminiti, Ruggero |
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