검색결과 : 52건
| No. | Article |
|---|---|
| 1 |
Silylene Defect at the Dihydrogen Terminated (100) Si Surface Belanzoni P, Giorgi G, Sgamellotti A, Cerofolini GF Journal of Physical Chemistry A, 113(52), 14375, 2009 |
| 2 |
Absorption and Emission of the Apigenin and Luteolin Flavonoids: A TDDFT Investigation Amat A, Clementi C, De Angelis F, Sgamellotti A, Fantacci S Journal of Physical Chemistry A, 113(52), 15118, 2009 |
| 3 |
A DFT investigation of base-catalyzed beta-elimination reactions in water solution for systems activated by the pyridine ring: Theory vs. experiment Mosconi E, De Angelis F, Tarantelli F, Alunni S, Sgamellotti A Chemical Physics Letters, 460(1-3), 100, 2008 |
| 4 |
Acid-base chemistry of luteolin and its methyl-ether derivatives: A DFT and ab initio investigation Amat A, De Angelis F, Sgamellotti A, Fantacci S Chemical Physics Letters, 462(4-6), 313, 2008 |
| 5 |
Electronic properties and stability of graphene nanoribbons: An interpretation based on Clar sextet theory Baldoni M, Sgamellotti A, Mercuri F Chemical Physics Letters, 464(4-6), 202, 2008 |
| 6 |
CO2 entrapment in natural ultramarine blue Miliani C, Daveri A, Brunetti BG, Sgamellotti A Chemical Physics Letters, 466(4-6), 148, 2008 |
| 7 |
Efficiency and resistance of the artificial oxalate protection treatment on marble against chemical weathering Doherty B, Pamplona M, Selvaggi R, Miliani C, Matteini M, Sgamellotti A, Brunetti B Applied Surface Science, 253(10), 4477, 2007 |
| 8 |
An indirect approach to the determination of the nuclear quadrupole moment by four-component relativistic DFT in molecular calculations Belpassi L, Tarantelli F, Sgamellotti A, Gotz AW, Visscher L Chemical Physics Letters, 442(4-6), 233, 2007 |
| 9 |
Time-dependent and coupled-perturbed DFT and HF investigations on the absorption spectrum and non-linear optical properties of push-pull M(II)-porphyrin complexes (M = Zn, Cu, Ni) De Angelis F, Fantacci S, Sgamellotti A, Pizzotti M, Tessore F, Biroli AO Chemical Physics Letters, 447(1-3), 10, 2007 |
| 10 |
The role of substituents on functionalized 1,10-phenanthroline in controlling the emission properties of cationic iridium(III) complexes of interest for electroluminescent devices Dragonetti C, Falciola L, Mussini P, Righetto S, Roberto D, Ugo R, Valore A, De Angelis F, Fantacci S, Sgamellotti A, Ramon M, Muccini M Inorganic Chemistry, 46(21), 8533, 2007 |