| 1 |
Response electric properties of alpha-helix polyglycines: A CAM-B3LYP DFT investigation
Alparone A
Chemical Physics Letters, 563, 88, 2013 |
| 2 |
Evolution of Electric Dipole (Hyper)polarizabilities of beta-Strand Polyglycine Single Chains: An ab Initio and DFT Theoretical Study
Alparone A
Journal of Physical Chemistry A, 117(24), 5184, 2013 |
| 3 |
Comparative study of CCSD(T) and DFT methods: Electronic (hyper)polarizabilities of glycine
Alparone A
Chemical Physics Letters, 514(1-3), 21, 2011 |
| 4 |
The role of electronic properties to the mutagenic activity of 1,6-and 3,6-dinitrobenzo[a]pyrene isomers
Librando V, Alparone A
Journal of Hazardous Materials, 161(2-3), 1338, 2009 |
| 5 |
Validation of semiempirical PM6 method for the prediction of molecular properties of polycyclic aromatic hydrocarbons and fullerenes
Alparone A, Librando V, Minniti Z
Chemical Physics Letters, 460(1-3), 151, 2008 |
| 6 |
Prediction of mutagenic activity of nitronaphthalene isomers by infrared and Raman spectroscopy
Librando V, Alparone A
Journal of Hazardous Materials, 154(1-3), 1158, 2008 |
| 7 |
Theoretical investigation of the (hyper) polarizabilities of pyrrole homologues C4H4XH (X = N, P, As, Sb, Bi). A coupled-cluster and density functional theory study
Alparone A, Reis H, Papadopoulos MG
Journal of Physical Chemistry A, 110(17), 5909, 2006 |
| 8 |
Electronic dipole polarizability and hyperpolarizability of formic acid
Alparone A, Millefiori A, Millefiori S
Chemical Physics Letters, 409(4-6), 288, 2005 |
| 9 |
Gas and solution phase electronic and vibrational (hyper)polarizabilities in the series formaldehyde, formamide and urea: CCSD(T) and DFT theoretical study
Alparone A, Millefiori S
Chemical Physics Letters, 416(4-6), 282, 2005 |
| 10 |
Ab initio study of the structure and polarizability of sulfur clusters, S-n (n=2-12)
Millefiori S, Alparone A
Journal of Physical Chemistry A, 105(41), 9489, 2001 |
