Sfoglia per Autore
Theoretical determination of electronic spectra and intersystem spin-orbit coupling: The case of isoindole-bodipy dyes
2014-01-01 Alberto, M. E.; De Simone, B. C.; Mazzone, G.; Quartarolo, A. D.; Russo, N.
Theoretical mechanistic study of the formic acid decomposition assisted by a Ru(II)-phosphine catalyst
2014-01-01 Mazzone, Gloria; Alberto, Marta E.; Sicilia, Emilia
Tri-Esterase and Promiscuous Di-Esterase Activities of a di-Co(II)containing Organo-Phosphate Degrading Enzyme Reaction Mechanisms
2015-01-01 Alberto, Me; Pinto, G; Russo, Nino; Toscano, Marirosa
Photophysical properties of free and metallated meso-substituted tetrabenzotriazaporphyrin from density functional theory investigation
2015-01-01 Alberto, M. E.; DE SIMONE, Bruna Clara; Mazzone, G; Marino, Tiziana; Russo, Nino
A trispyrazolylborato iron cysteinato complex efficiently mimics the cysteine dioxygenation process: Mechanistic insights
2015-01-01 Alberto, M. E.
The heavy atom effect on Zn(II) phthalocyanine derivatives: a theoretical exploration of the photophysical properties
2015-01-01 Alberto, Marta E.; DE SIMONE, Bruna Clara; Mazzone, Gloria; Sicilia, Emilia; Russo, Nino
Computational investigation on the Mechanism of amide bond formation by using phosphine-based redox catalysis
2015-01-01 Di Santo, E.; Alberto, M. E.; Russo, Nino; Toscano, Marirosa
22π-Electrons [1.1.1.1.1] pentaphyrin as a new photosensitizing agent for water disinfection: experimental and theoretical characterization
2016-01-01 Alberto, Marta E.; Clara, Comuzzi; Thandu, Merlyn M.; Carlo, Adamo; Russo, Nino
Synergistic Effects of Metals in a Promising RuII−PtII Assembly for a Combined Anticancer Approach: Theoretical Exploration of the Photophysical Properties
2016-01-01 Alberto, Marta E.; Russo, Nino; Carlo, Adamo
Can Expanded Bacteriochlorins Act as Photosensitizers in Photodynamic Therapy? Good News from Density Functional Theory Computations
2016-01-01 Mazzone, Gloria; Alberto, Marta E.; DE SIMONE, Bruna Clara; Marino, Tiziana; Russo, Nino
Theoretical Exploration of Type I/Type II Dual Photoreactivity of Promising Ru(II) Dyads for PDT Approach
2016-01-01 Alberto, Marta Erminia; Jenny, Pirillo; Russo, Nino; Carlo, Adamo
Synergistic Effects in PtII–Porphyrinoid Dyes as Candidates for a Dual-Action Anticancer Therapy: A Theoretical Exploration
2017-01-01 Alberto, M. E.; Adamo, C.
On the photochemistry of Fe2(edt)(CO)4(PMe3)2, a [FeFe]-hydrogenase model: A DFT/TDDFT investigation
2018-01-01 Bertini, L.; Alberto, M. E.; Arrigoni, F.; Vertemara, J.; Fantucci, P.; Bruschi, M.; Zampella, G.; De Gioia, L.
Dioxygenation of metal(II)-cysteinato complexes in CDO biomimetic models: Can ruthenium and osmium reach iron performances?
2018-01-01 Alberto, Marta Erminia; Di Tommaso, Stefania; Ricca, Chiara; Ciofini, Ilaria; Adamo, Carlo
Photophysical properties of nitrated and halogenated phosphorus tritolylcorrole complexes: Insights from theory
2018-01-01 Alberto, Marta Erminia; De Simone, Bruna Clara; Mazzone, Gloria; Russo, Nino; Toscano, Marirosa
Anion-Ï weak interactions in a heteroaromatic calixarene receptor. A theoretical investigation
2018-01-01 Mazzone, Gloria; Alberto, Marta Erminia; Ponte, Fortuna; Russo, Nino; Toscano, Marirosa
TEORIA DEL FUNZIONALE DELLA DENSITÀ E TERAPIA FOTODINAMICA: UN MATRIMONIO PROMETTENTE
2018-01-01 Alberto, Marta E.; De Simone, Bruna C.; Marino, Tiziana; Mazzone, Gloria; Sicilia, Emilia; Toscano, Marirosa; Russo, Nino
Can BODIPY Dimers Act as Photosensitizers in Photodynamic Therapy? A Theoretical Prediction
2018-01-01 Alberto, Marta Erminia; De Simone, Bruna Clara; Russo, Nino; Sicilia, Emilia; Toscano, Marirosa
Rational design of modified oxobacteriochlorins as potential photodynamic therapy photosensitizers
2019-01-01 Alberto, M. E.; De Simone, B. C.; Sicilia, E.; Toscano, M.; Russo, N.
Photophysical Exploration of Dual-Approach PtII-BODIPY Conjugates: Theoretical Insights
2019-01-01 Ponte, F.; Alberto, M. E.; De Simone, B. C.; Russo, N.; Sicilia, E.
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