화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 UV-Vis Spectra of the Anticancer Campothecin Family Drugs in Aqueous Solution: Specific Spectroscopic Signatures Unraveled by a Combined Computational and Experimental Study
Sanna N, Chillemi G, Gontrani L, Grandi A, Mancini G, Castelli S, Zagotto G, Zazza C, Barone V, Desideri A
Journal of Physical Chemistry B, 113(16), 5369, 2009
2 Selective bond breaking in beta-D-ribose by gas-phase electron attachment around 8 eV
Baccarelli I, Gianturco FA, Grandi A, Sanna N, Lucchese RR, Bald I, Kopyra J, Illenberger E
Journal of the American Chemical Society, 129(19), 6269, 2007
3 Electron-attachment resonances of glycine zwitterions from quantum scattering calculations: Modeling macrosolvation effects
Baccarelli I, Grandi A, Gianturco FA, Lucchese RR, Sanna N
Journal of Physical Chemistry B, 110(51), 26240, 2006
4 New hints on the pH-driven tautomeric equilibria of the topotecan anticancer drug in aqueous solutions from an integrated spectroscopic and quantum-mechanical approach
Sanna N, Chillemi G, Grandi A, Castelli S, Desideri A, Barone V
Journal of the American Chemical Society, 127(44), 15429, 2005
5 Accurate vibrational spectra of large molecules by density functional computations beyond the harmonic approximation: the case of uracil and 2-thiouracil
Barone V, Festa G, Grandi A, Rega N, Sanna N
Chemical Physics Letters, 388(4-6), 279, 2004
6 Low-energy electron scattering by cubane: Resonant states and Ramsauer-Townsend features from quantum calculations in the gas phase
Gianturco FA, Lucchese RR, Grandi A, Sanna N
Journal of Chemical Physics, 120(9), 4172, 2004