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Librando, Vito, Alparone, Andrea (2007) Electronic Polarizability as a Predictor of Biodegradation Rates of Dimethylnaphthalenes. AnAb Initioand Density Functional Theory Study. Environmental Science & Technology, 41 (5). 1646-1652 doi:10.1021/es061632+

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Reference TypeJournal (article/letter/editorial)
TitleElectronic Polarizability as a Predictor of Biodegradation Rates of Dimethylnaphthalenes. AnAb Initioand Density Functional Theory Study
JournalEnvironmental Science & Technology
AuthorsLibrando, VitoAuthor
Alparone, AndreaAuthor
Year2007 (March)Volume41
Issue5
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/es061632+Search in ResearchGate
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Mindat Ref. ID9402022Long-form Identifiermindat:1:5:9402022:9
GUID0
Full ReferenceLibrando, Vito, Alparone, Andrea (2007) Electronic Polarizability as a Predictor of Biodegradation Rates of Dimethylnaphthalenes. AnAb Initioand Density Functional Theory Study. Environmental Science & Technology, 41 (5). 1646-1652 doi:10.1021/es061632+
Plain TextLibrando, Vito, Alparone, Andrea (2007) Electronic Polarizability as a Predictor of Biodegradation Rates of Dimethylnaphthalenes. AnAb Initioand Density Functional Theory Study. Environmental Science & Technology, 41 (5). 1646-1652 doi:10.1021/es061632+
In(2007, March) Environmental Science & Technology Vol. 41 (5) American Chemical Society (ACS)

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Alparone, Andrea, Librando, Vito (2012) IR and Raman spectra of nitroanthracene isomers: Substitional effects based on density functional theory study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 89. 129-136 doi:10.1016/j.saa.2011.12.052
Librando, Vito, Alparone, Andrea, Minniti, Zelica (2008) Computational study on dipole moment, polarizability and second hyperpolarizability of nitronaphthalenes. Journal of Molecular Structure: THEOCHEM, 856. 105-111 doi:10.1016/j.theochem.2008.01.022
Alparone, Andrea, Librando, Vito (2009) Electronic dipole polarizabilities of polychlorinated dibenzofurans and semiempirical PM6 level performance. Journal of Molecular Structure: THEOCHEM, 894. 128pp. doi:10.1016/j.theochem.2008.09.023
Librando, Vito, Alparone, Andrea, Minniti, Zelica (2007) Computational note on anharmonic infrared spectrum of naphthalene. Journal of Molecular Structure: THEOCHEM, 847. 23-24 doi:10.1016/j.theochem.2007.08.022
Librando, Vito, Alparone, Andrea (2009) The role of electronic properties to the mutagenic activity of 1,6- and 3,6-dinitrobenzo[a]pyrene isomers. Journal of Hazardous Materials, 161. 1338-1346 doi:10.1016/j.jhazmat.2008.04.095
Millefiori, S, Alparone, A (2004) Tautomerism and polarizability in uracil: coupled cluster and density-functional theory study. Chemical Physics, 303. 27-36 doi:10.1016/j.chemphys.2004.05.002
Librando, Vito, Alparone, Andrea (2008) Prediction of mutagenic activity of nitronaphthalene isomers by infrared and Raman spectroscopy. Journal of Hazardous Materials, 154. 1158-1165 doi:10.1016/j.jhazmat.2007.11.020
Alparone, Andrea, Librando, Vito (2013) Prediction of mutagenic activity of nitrophenanthrene and nitroanthracene isomers by simulated IR and Raman spectra. Chemosphere, 90 (2). 158-163 doi:10.1016/j.chemosphere.2012.06.020
Alparone, Andrea, Librando, Vito (2011) Computational note on the structure and vibrational spectra of organic micropollutants: 1-Ethylnaphthalene and 2-ethylnaphthalene. Computational and Theoretical Chemistry, 965 (1). 244-245 doi:10.1016/j.comptc.2011.01.012
Alparone, Andrea, Librando, Vito, Minniti, Zelica (2008) Validation of semiempirical PM6 method for the prediction of molecular properties of polycyclic aromatic hydrocarbons and fullerenes. Chemical Physics Letters, 460. 151-154 doi:10.1016/j.cplett.2008.05.028
Alparone, Andrea, Reis, Heribert, Papadopoulos, Manthos G. (2006) Theoretical Investigation of the (Hyper)polarizabilities of Pyrrole Homologues C4H4XH (X = N, P, As, Sb, Bi). A Coupled-Cluster and Density Functional Theory Study. The Journal of Physical Chemistry A, 110 (17). 5909-5918 doi:10.1021/jp0574605
 
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