Andrea Alparone
Overview
Explore the profile of Andrea Alparone including associated specialties, affiliations and a list of published articles.
Author names and details appear as published. Due to indexing inconsistencies, multiple individuals may share a name, and a single author may have variations. MedLuna displays this data as publicly available, without modification or verification
Snapshot
Snapshot
Articles
17
Citations
31
Followers
0
Related Specialties
Related Specialties
Co-Authors
Co-Authors
Published In
Published In
Affiliations
Affiliations
Soon will be listed here.
Recent Articles
1.
Alparone A
ScientificWorldJournal
. 2014 Jan;
2013:652124.
PMID: 24453886
Electronic (β(e)) and vibrational (β(v)) first-order hyperpolarizabilities of uracil were determined in gas and water solution using the Coulomb-attenuating Density Functional Theory level with the Dunning's correlation-consistent aug-cc-pVDZ basis set....
2.
Alparone A
ScientificWorldJournal
. 2013 Nov;
2013:832682.
PMID: 24288508
Static and frequency-dependent electronic (hyper)polarizabilities of the dimethylnaphthalene (DMN) isomers were computed in vacuum using the Coulomb-attenuating Density Functional Theory method. The nonlinear optical Second Harmonic Generation (SHG) and Electro-Optical...
3.
Alparone A
Spectrochim Acta A Mol Biomol Spectrosc
. 2013 Oct;
117:669-78.
PMID: 24128920
Infrared, Raman and electronic absorption spectra, electronic and vibrational (hyper)polarizabilities, of barbituric, 2-thiobarbituric and 2-selenobarbituric acids were studied in gas using ab initio and density functional theory levels. The vibrational...
4.
Alparone A
Phys Chem Chem Phys
. 2013 Jul;
15(31):12958-62.
PMID: 23817555
The evolution of the electronic first-order longitudinal hyperpolarizability (βzzz) and the hyperpolarizability aligned along the direction of the dipole moment (βμ) of the α-helix and β-strand single chain H2N-(CH2-CO-NH)n-CH2-COOH (n...
5.
Alparone A
J Phys Chem A
. 2013 May;
117(24):5184-94.
PMID: 23718568
Ab initio and density functional theory calculations have been carried out on dipole moments (μ), polarizabilities (α), and second-order hyperpolarizabilities (γ) of single chain β-strand oligoglycines in the gas phase....
6.
Alparone A
J Mol Model
. 2013 Apr;
19(8):3095-102.
PMID: 23605138
Dipole moments (μ), charge distributions, and static electronic first-order hyperpolarizabilities (β(μ)) of the two lowest-energy keto tautomers of guanine (7H and 9H) were determined in the gas phase using Hartree-Fock,...
7.
Alparone A, Librando V
Spectrochim Acta A Mol Biomol Spectrosc
. 2012 Sep;
98:479-80.
PMID: 22981589
The title paper [1] incorrectly establishes that, in gas phase the global minimum energy structure of 1-nitronaphthalene is planar (C(s) symmetry). By contrast, present calculations indicate that the planar C(s)...
8.
Alparone A, Librando V
Chemosphere
. 2012 Jul;
90(2):158-63.
PMID: 22809700
This paper expands upon our original work on nitroanthracenes in (Alparone, A., Librando, V., 2012. Spectrochim. Acta A 89, 129-136) on the series of nitrophenanthrene isomers. Geometries, electric properties, IR...
9.
Alparone A, Librando V
Spectrochim Acta A Mol Biomol Spectrosc
. 2012 Jan;
89:129-36.
PMID: 22257717
Structure, IR and Raman spectra of 1-, 2- and 9-nitroanthracene isomers (1-NA, 2-NA and 9-NA) were calculated and analyzed through density functional theory computations using the B3LYP functional with the...
10.
Alparone A
Spectrochim Acta A Mol Biomol Spectrosc
. 2011 Jul;
81(1):631-9.
PMID: 21764365
Structures and IR and Raman spectra of Risperidone in its neutral, mono- and di-protonated forms were calculated in gas phase by DFT-B3LYP/6-31G* level. Mono-protonation occurs at the nitrogen atom of...