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List of works by Andrea Alparone

Comment on: "FT-IR, FT-Raman and UV spectral investigation; computed frequency estimation analysis and electronic structure calculations on 1-nitronaphthalene" by M. Govindarajan and M. Karabacak [Spectrochim. Acta A 85 (2012) 251-260]

scientific article published on 28 August 2012

Electron correlation effects and density analysis of the first-order hyperpolarizability of neutral guanine tautomers ⬇️

scientific article published on April 20, 2013

Electronic and vibrational polarizabilities of the twenty naturally occurring amino acids

scientific article published on 17 November 2007

Electronic polarizability as a predictor of biodegradation rates of dimethylnaphthalenes. an ab initio and density functional theory study

scientific article published on 01 March 2007

Electronic properties of neuroleptics: ionization energies of benzodiazepines

scientific article published on 06 May 2010

Electronic properties of some nitrobenzo[a]pyrene isomers: a possible relationship to mutagenic activity

scientific article published on 26 April 2008

Evolution of Electric Dipole (Hyper)polarizabilities of β-Strand Polyglycine Single Chains: An ab Initio and DFT Theoretical Study ⬇️

scientific article published on 07 June 2013

IR and Raman spectra of nitroanthracene isomers: substitional effects based on density functional theory study

scientific article published on 29 December 2011

Physicochemical characterization of neuroleptics. Relative stability of 7- and 9-hydroxyrisperidones and their protonated forms in gas phase and in solution

scientific article published on 23 December 2009

Prediction of mutagenic activity of nitronaphthalene isomers by infrared and Raman spectroscopy

scientific article published on 17 November 2007

Prediction of mutagenic activity of nitrophenanthrene and nitroanthracene isomers by simulated IR and Raman spectra.

scientific article published on 17 July 2012

Spectroscopic properties of neuroleptics: IR and Raman spectra of Risperidone (Risperdal) and of its mono- and di-protonated forms ⬇️

scientific article published on October 15, 2011

The effect of secondary structures on the NLO properties of single chain oligopeptides: a comparison between β-strand and α-helix polyglycines ⬇️

scientific article published on August 21, 2013

The role of electronic properties to the mutagenic activity of 1,6- and 3,6-dinitrobenzo[a]pyrene isomers

scientific article published in May 2008

Theoretical investigation of the (hyper)polarizabilities of pyrrole homologues C4H4XH (X = N, P, As, Sb, Bi). A coupled-cluster and density functional theory study

scientific article published on 01 May 2006

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