Sfoglia per Autore
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
2009-01-01 Leonardo, Guidoni; Gontrani, Lorenzo; Luigi, Bencivenni; Claudia, Sadun; Paolo, Ballirano
UV-vis spectra of the anticancer campothecin family drugs in aqueous solution: specific spectroscopic signatures unraveled by a combined computational and experimental study
2009-01-01 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
2009-01-01 Fabio, Ramondo; Luana, Tanzi; Marco, Campetella; Gontrani, Lorenzo; Giordano, Mancini; Andrea, Pieretti; Claudia, Sadun
PURE AND SOLVATED AZOLES: A COMBINED THEORETICAL AND X-RAY DIFFRACTION STUDY 1,2,3 TRIAZOLE
2008-01-01 Bellagamba, M; Campetella, M; Bencivenni, L; Gontrani, Lorenzo; Guidoni, L; Mancini, G; Pieretti, A; Sadun, C; Ramondo, F.
Morphology and Relaxation processes in a Rtil: the case of [C6mim][Tf2N].
2008-01-01 Triolo, A; Russina, O; Fazio, B; Gontrani, Lorenzo; Caminiti, Ruggero; Hardacre, C; Mullan, C; Pappas, C; Beiner, M.
Synthesis, biological evaluation, and molecular modeling studies of rebeccamycin analogues modified in the carbohydrate moiety
2008-01-01 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
A study of cyclohexane, piperidine and morpholine with X-ray diffraction and molecular simulations
2008-01-01 Gontrani, Lorenzo; Fabio, Ramondo; Giulio, Caracciolo; Caminiti, Ruggero
Computational methods applied to the discovery of stem cell factor ligands
2008-01-01 Alcaro, S; Gontrani, Lorenzo; Incani, O; Ortuso, F.
Dimerisation of urea in water solution: a quantum mechanical investigation
2007-01-01 Ramondo, F; Bencivenni, L; Caminiti, Ruggero; Pieretti, A; Gontrani, Lorenzo
A QUANTUM-MECHANICAL STUDY OF THE ANTICANCER DRUGS CAMPTOTHECIN AND TOPOTECAN
2006-01-01 Sanna, N; Chillemi, G; Gontrani, Lorenzo; Grandi, A; Castelli, S; Desideri, A; Cimino, P; Barone, V.
Energy dispersive X-ray diffraction and molecular dynamics meet: The structure of liquid pyrrole
2006-01-01 Gontrani, Lorenzo; Fabio, Ramondo; Caminiti, Ruggero
Furan and thiophene in liquid phase: An X-ray and molecular dynamics study
2006-01-01 Gontrani, Lorenzo; Fabio, Ramondo; Caminiti, Ruggero
Hydrogen bonding in barbituric and 2-thiobarbituric acids: a theoretical and FT-IR study
2001-01-01 Ramondo, F.; Pieretti, A.; Gontrani, Lorenzo; L., Bencivenni
Glycine and alanine: a theoretical study of solvent effects upon energetics and molecular response properties
2000-01-01 Gontrani, Lorenzo; B., Mennucci; J., Tomasi
Molecular aggregation phenomena in solution: An energy dispersive X-ray diffraction study of imidazole concentrated water solutions.
1999-01-01 Gontrani, Lorenzo; Caminiti, Ruggero; L., Bencivenni; Sadun, C.
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