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GIROLAMO CASELLA

Curriculum e ricerca

Insegnamenti

Anno accademico Codice della materia Nome della materia CFU Corso di studi
2023/2024 01897 CHIMICA GENERALE 9 SCIENZE GEOLOGICHE

Pubblicazioni

Data Titolo Tipologia Scheda
2024 Synthesis, structural and computational study, DNA binding and cytotoxic activity of Cu(II) complexes of 6- and 7-chloro-2-oxo-1,2-dihydroquinoline-3-carbaldehyde-2-furoyl-hydrazones Articolo in rivista Vai
2023 Correction: The reaction of acetonitrile with hydrogen peroxide in alkaline medium: a DFT mechanistic study of green production of amides Articolo in rivista Vai
2023 The reaction of acetonitrile with hydrogen peroxide in alkaline medium: a DFT mechanistic study of green production of amides Articolo in rivista Vai
2022 Donation and back-donation in cis- and trans-[(η5-C5H5)Fe(η1-CO)(μ-CO)]2 tautomers: Which relative is more generous? An ETS-NOCV bond analysis Articolo in rivista Vai
2022 Cyclo- and Polyphosphazenes for Biomedical Applications Articolo in rivista Vai
2021 cis-[(η5-C5H5)Fe(η1-CO)(μ-CO)]2, the poor relative betweencisandtranstautomers. A theoretical study of the gas-phase Fe L3-edge and C and O K-edge XAS oftrans-/cis-[(η5-C5H5)Fe(η1-CO)(μ-CO)]2 Articolo in rivista Vai
2020 Covalently Conjugated Gold-Porphyrin Nanostructures Articolo in rivista Vai
2020 A DFT mechanistic study of the synthesis of trans-Z,Z-[PtIICl(NH3){HN = C(NH2)Me}2]Cl from addition of NH3 to trans-[PtIICl2(N CMe)2] Articolo in rivista Vai
2019 Comparative Experimental and Theoretical Study of the Fe L-2,L-3-Edges X-ray Absorption Spectroscopy in Three Highly Popular, Low-Spin Organoiron Complexes: [Fe(CO)(5)], [(eta(5)-C5H5)Fe(CO)(mu-CO)](2), and [(eta(5)-C5H5)(2)Fe] Articolo in rivista Vai
2019 Mesomorphic and electrooptical properties of viologens based on non-symmetric alkyl/polyfluoroalkyl functionalization and on an oxadiazolyl-extended bent core Articolo in rivista Vai
2019 Comparative Experimental and Theoretical Study of the C and O K-Edge X-ray Absorption Spectroscopy in Three Highly Popular, Low Spin Organoiron Complexes: [Fe(CO)5], [(η5-C5H5)Fe(CO)(μ-CO)]2, and [(η5-C5H5)2Fe] Articolo in rivista Vai
2019 Spin state, electronic structure and bonding on C-scorpionate [Fe(II)Cl2(tpm)] catalyst: An experimental and computational study Articolo in rivista Vai
2019 New light on an old debate: Does the RCN-PtCl2 bond include any back-donation? RCN←PtCl2 backbonding: Vs. the IR ν CN blue-shift dichotomy in organonitriles-platinum(II) complexes. A thorough density functional theory-energy decomposition analysis study Articolo in rivista Vai
2018 Reaction between Indazole and Pd-Bound Isocyanides-A Theoretical Mechanistic Study Articolo in rivista Vai
2018 Anti-cancer activity of di- and tri-organotin(IV) compounds with D-(+)-Galacturonic acid on human tumor cells Articolo in rivista Vai
2017 Pt(II) nitrile complexes: New insights on old complexes from a combined experimental and theoretical study Articolo in rivista Vai
2017 An ultrathin suspended hydrophobic porous membrane for high-efficiency water desalination Articolo in rivista Vai
2017 A novel compound of triphenyltin(IV) with N-tert-butoxycarbonyl-L-ornithine causes cancer cell death by inducing a p53-dependent activation of the mitochondrial pathway of apoptosis Articolo in rivista Vai
2016 Ionic liquid crystals based on viologen dimers: tuning the mesomorphism by varying the conformational freedom of the ionic layer Articolo in rivista Vai
2016 DFT calculation of NMR delta(Cd-113) in cadmium complexes Articolo in rivista Vai
2015 Four-Component Relativistic DFT Calculations of (13) C Chemical Shifts of Halogenated Natural Substances Articolo in rivista Vai
2015 Synthesis, structural characterization and antitumor activity of di- and tri-organotin(IV) complexes of D-galacturonic acid Abstract in atti di convegno pubblicato in volume Vai
2015 Polyfluoroalkyl viologen-based Ionic Liquid Crystals eedings Vai
2015 Direct detection of 17O NMR in [Gd(DOTA)]- by NMR Spectroscopy Articolo in rivista Vai
2014 Viologen-based ionic liquid crystals: induction of a smectic A phase by dimerisation Articolo in rivista Vai
2013 Spectroscopic signatures of the carbon buckyonions C60@C180 and C60@C240: a dispersion-corrected DFT study Articolo in rivista Vai
2013 A DFT study of the vicinal 3J(119Sn,13C) and 3J(119Sn,1H) coupling constants in trimethyl- and chlorodimethylstannyl propanoates Articolo in rivista Vai
2013 Synthesis, chemical characterization and biological activity of new histone acetylation/deacetylation specific inhibitors: A novel and potential approach to cancer therapy. Articolo in rivista Vai
2012 Thermal behaviour and electrochemical properties of bis(trifluoromethanesulfonyl)amide and dodecatungstosilicate viologen dimers Articolo in rivista Vai
2012 Organotin(IV) and simple fatty acids: preliminary assessments eedings Vai
2011 New histone acetylation/deacetylation specific inhibitors: a novel and potential approach to cancer therapy eedings Vai
2011 Synthesis, chemical characterization and preliminary in vitro antitumor activity evaluation of new ruthenium(II) complexes with sugar derivatives Articolo in rivista Vai
2011 DFT study of the interaction free energy of p–p complexes of fullerenes with buckybowls and viologen dimers Articolo in rivista Vai
2010 A DFT study of the Karplus-type dependence of vicinal 3J(Sn–C-X-C), X=N,O,S, in organotin(IV) compounds: application to conformationally flexible systems Articolo in rivista Vai
2010 Structural characterization of triorganotin(IV) complexes with sodium fusidate and DFT calculations Articolo in rivista Vai
2010 Diorganotin(IV) N-acetyl-L-cysteinate complexes: Synthesis, solid state, solution phase, DFT and biological investigations. Articolo in rivista Vai
2009 Karplus-type dependence of vicinal 119Sn-13C and 119Sn-1H spin-spin couplings in organotin(IV) derivatives: a DFT study Articolo in rivista Vai
2009 Organometallic Complexes with Biological Molecules. Structural investigation of cis-diammineplatinum(II)-Porphyrin derivatives. Articolo in rivista Vai
2008 Potential use of organotin(IV)-tripetide complexes as stopper in tumor cells growth. eedings Vai
2008 Structural investigations on diorganotin and triorganotin(IV) phosphomycin derivatives. Articolo in rivista Vai
2008 Carbocysteine degradation catalyzed by organotin(IV) compounds. eedings Vai
2008 Recent Results of Studies on Dialkyltin(IV) Complexes of Acidic Derivatives of Carbohydrates eedings Vai
2008 Synthesis and structural investigations on R2 Sn(IV)-D-aldonic acid complexes (R = methyl; butyl). Their effect on a new toxicity test organism, Liza saliens (Osteichthyes, Mugilidae): a histological study. Articolo in rivista Vai
2008 Synthesis, Characterization and in vitro antimicrobial activity of dialkyltin(IV)bis(fusidate) complexes. Articolo in rivista Vai
2008 Tin(IV) catalyzed D-galacturonic acid anomerization Articolo in rivista Vai
2008 Organotin(IV)derivatives neurotoxicity and their modulation by Baclofen Articolo in rivista Vai
2008 DFT calculation of 1J(119Sn,13C) and 2J(119Sn,1H) coupling constants in di- and trimethyltin(IV) compounds Articolo in rivista Vai
2007 H-ZSM-5 Modified Zeolite: Quantum Chemical Models of Acidic Sites Articolo in rivista Vai
2007 Synthesis, characterization and in vitro antimicrobial activity of triorganotin(IV)fusidate complexes eedings Vai
2007 Equilibria involved in the diorganotin(IV) and triorganotin(IV) phosphomycin interaction in aqueous solution Articolo in rivista Vai
2007 Catalytic Supported System Modelled by Computational Approaches eedings Vai
2007 Solution structure of R2Sn(IV)-β-N-Acetyl-Neuraminate (R=Me, Bu) complexes in D2O and DMSO-d6: experimental NMR and DFT computational study. Articolo in rivista Vai
2007 Quantum chemical models of acidic sites in H-ZSM-5 zeolites eedings Vai
2007 Recent results on DFT calculation of 119Sn NMR parameters for organotin(IV) derivatives in coordinating solvents eedings Vai
2006 Synthesis, structural investigation and biological activity of new diorganotin(IV) N-acetylcysteine Complexes. eedings Vai
2006 CO on Nickel: some computational insights about steric hindrance in loaded surfaces eedings Vai
2006 Structure of D-ribonic acid-dimethyltin(IV) in coordinating solvents: an experimental and DFT 119Sn NMR study. Articolo in rivista Vai
2006 How organotin(IV)(sulfonatophenyl) porphynate may activate the apoptotic pathways in melanoma cells? eedings Vai
2006 Studi computazionali di proprietà catalitiche di zeoliti acide eedings Vai
2006 DFT study of but-2-ene isomerization on H-ZSM-5 modified catalyst eedings Vai
2006 Relativistic DFT calculation of Sn-119 chemical shifts and coupling constants in tin compounds Articolo in rivista Vai
2005 CONFORMATIONAL ANALYSIS AND DFT-GIAO 13CNMR CHEMICAL SHIFT CALCULATION OF DIMETHYLTIN(IV)-D-RIBONATE COMPLEX eedings Vai
2005 Metodi quantomeccanici e Monte Carlo applicati a sistemi nanostrutturati eedings Vai
2005 ATTIVITÀ CITOTOSSICA DEI COMPLESSI DIORGANOSTAGNO(IV)-N-ACETILCISTEINA SU CELLULE DI MELANOMA A-375. eedings Vai
2005 Novel metallic and organometallic based antiproliferative complexes: Integrated methodologies of evaluation eedings Vai
2005 Synthesis and characterization of diorganotin(IV)complexes with Phenothiazine class Drugs. Biological and Theoretical studies on cytotoxic activity eedings Vai
2005 BUTENE/H-ZSM-5:STUDIO COMPUTAZIONALE DI MODELLI DI SUPERFICIE E CATALITICI. eedings Vai
2005 SIMPLE MODEL OF GERMANIUM-PEPTIDE INTERACTIONS: BIS-GLYCYLGLYCINE-GERMANIUM-CHLORIDE eedings Vai
2004 Organotin IV-Quinilone Antibiotic Derivatives: Solid State Investigations Articolo in rivista Vai
2004 Diorganotin(IV) complexes with aldonic acids. Synthesis and structural study in solid state and in solution phase and biological activity eedings Vai
2004 Organometallic complexes with biological molecules. XVIII. Alkyltin(IV) cephalexinate complexes: synthesis, solid state and solution phase investigations Articolo in rivista Vai
2004 Synthesis, structural investigations on organotin(IV) chlorin-e6 complexes, their effect on sea urchin embryonic development and induced apoptotic changes Articolo in rivista Vai
2004 Organotin(IV) derivatives of fatty acids: Solid state and solution phase investigations eedings Vai
2004 119Sn NMR Ccomputational study of Dimethyltin(IV) - D-ribonic Acid and Dimethyltin(IV) - N-Acetylneuraminic acid complexes eedings Vai
2003 Through-space spin-spin coupling in acetylenic systems. Ab initio and DFT calculations. Articolo in rivista Vai
2003 Diorganotin(IV) complexes of D-galacturonic acid: Solid-state and solution-phase structural study Articolo in rivista Vai
1998 Synthesis and crystal structure of [(PhenH)(PhenH2)][BiCl6] . 2H2O with different o-phenanthroline protonations. Articolo in rivista Vai