Nonlinear Optical Properties of Ni(Me6pzS2)MX (M = Ni, Pd, Pt; X = Me2timdt, mnt) von Romaniello, P, D’Andria, M. C, Lelj, F

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Are UV-Vis and luminescence spectra of Alq3 [aluminum tris(8-hydroxy quinolinate)] δ-phase compatible with the presence of the fac-Alq3 isomer? A TD-DFT investigation von AMATI, M, LELJ, F

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Monomolecular isomerization processes of aluminum tris(8-hydroxyquinolinate) (Alq 3): a DFT study of gas-phase reaction paths von Amati, M, Lelj, F

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Halogen Bond in (CH3)nX (X = N, P, n = 3; X = S, n = 2) and (CH3)nXO (X = N, P, n = 3; X = S, n = 2) Adducts with CF3I. Structural and Energy Analysis Including Relativistic Zero-O... von ROMANIELLO, Pina, LELJ, Francesco

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Luminescent Compounds fac- and mer-Aluminum Tris(quinolin-8-olate). A Pure and Hybrid Density Functional Theory and Time-Dependent Density Functional Theory Investigation of Their... von AMATI, Mario, LELJ, Francesco

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Picosecond absorption saturation dynamics in neutral [M(R,R′timdt)2] metal-dithiolenes von Cassano, T., Tommasi, R., Nitti, L., Aragoni, M. C., Arca, M., Denotti, C., Devillanova, F. A., Isaia, F., Lippolis, V., Lelj, F., Romaniello, P.

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Role of methyl substitution on the spectroscopic properties of porphyrazines. A TDDFT study using pure and hybrid functionals on porphyrazine and its octamethyl derivative von Infante, Ivan, Lelj, Francesco

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Conformational behavior of gaseous glycine by a density functional approach von Barone, Vincenzo, Adamo, Carlo, Lelj, Francesco

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A hybrid density functional study of the first-row transition-metal monocarbonyls von Adamo, Carlo, Lelj, Francesco

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Effects of fluorine atoms on the optical nonlinear response of stilbene derivatives von Romaniello, Pina, Lelj, Francesco

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Stationary point structure and energetics: Density functional study including solvent effects on the tautomerization of formamide and 2-pyridone von Adamo, Carlo, Lelj, Francesco

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New [M(R,R‘timdt)2] Metal-Dithiolenes and Related Compounds (M = Ni, Pd, Pt; R,R‘timdt = Monoanion of Disubstituted Imidazolidine-2,4,5-trithiones):  An Experimental and Theoretica... von Aragoni, Maria Carla, Arca, Massimiliano, Demartin, Francesco, Devillanova, Francesco A, Garau, Alessandra, Isaia, Francesco, Lelj, Francesco, Lippolis, Vito, Verani, Gaetano

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Are UV–Vis and luminescence spectra of Alq 3 [aluminum tris(8-hydroxy quinolinate)] δ-phase compatible with the presence of the fac-Alq 3 isomer? A TD-DFT investigation von Amati, M., Lelj, F.

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Blue emitting pentacoordinated Al(III) complexes based on 2-methylquinolin-8-olate and substituted phenolate ligands. The role of phenolate derivatives on emission and absorption p... von La Deda, Massimo, Aiello, Iolinda, Grisolia, Annarita, Ghedini, Mauro, Amati, Mario, Lelj, Francesco

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Investigations on the electronic effects of the peripheral 4'-group on 5-(4'-substituted)phenylazo-8-hydroxyquinoline ligands: zinc and aluminium complexes von La Deda, Massimo, Grisolia, Annarita, Aiello, Iolinda, Crispini, Alessandra, Ghedini, Mauro, Belviso, Sandra, Amati, Mario, Lelj, Francesco

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Nonlinear optical properties of Ni(Me(6)pzS(2))MX (M = Ni, Pd, Pt; X = Me(2)timdt, mnt) von Romaniello, P, D'Andria, M C, Lelj, F

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A First Theoretical Study on the Origin of the Metal-Mediated Regioselective Opening of 2,3-Epoxy Alcohols von Infante, Ivan, Bonini, Carlo, Lelj, Francesco, Righi, Giuliana

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Relativistic effects on bonding in CuIn, AgIn and AuIn von Lelj, F., Rosa, A.

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Hybrid iodoperfluoroalkane-ferrocene supramolecular arrays: the shortest contacts iodine forms with nitrogen atoms and unsaturated moieties von Amati, Mario, Lelj, Francesco, Liantonio, Rosalba, Metrangolo, Pierangelo, Luzzati, Silvia, Pilati, Tullio, Resnati, Giuseppe

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Molecular dynamics study of the conformational behavior of a representative elastin building block: Boc-Gly-Val-Gly-Gly-Leu-Ome von Lelj, F., Tamburro, A. M., Villan, V., Grimaldi, P., Guantieri, V.

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