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au.\*:("GHIO, Caterina")

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Plicatin B conformational landscape and affinity to copper (I and II) metal cations. A DFT studyALAGONA, Giuliano; GHIO, Caterina.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 5, pp 776-790, issn 1463-9076, 15 p.Article

B3LYP/6-31G* conformational landscape -in vacuo of some pterocarpan stereoisomers with biological activityALAGONA, Giuliano; GHIO, Caterina; MONTI, Susanna et al.PCCP. Physical chemistry chemical physics (Print). 2004, Vol 6, Num 10, pp 2849-2857, issn 1463-9076, 9 p.Article

Computer modelling of reaction pathways in enzyme fieldsALAGONA, Giuliano; GHIO, Caterina.Recent research developments in physical chemistry. Vol. 2 (1998) - Part II. Recent research developments in physical chemistry. 1998, pp 1189-1203, isbn 81-86846-20-4Book Chapter

High linear regioselectivity in the rhodium-catalyzed hydro(deuterio)formylation of 3,4,4-trimethylpent-1-ene: The role of β-hydride eliminationLAZZARONI, Raffaello; SETTAMBOLO, Roberta; ALAGONA, Giuliano et al.Journal of molecular catalysis. A, Chemical. 2012, Vol 356, pp 1-13, issn 1381-1169, 13 p.Article

The catalytic effect of water on the keto-enol tautomerism. Pyruvate and acetylacetone: a computational challenge : Water in biological systemsALAGONA, Giuliano; GHIO, Caterina; NAGY, Peter I et al.PCCP. Physical chemistry chemical physics (Print). 2010, Vol 12, Num 35, pp 10173-10188, issn 1463-9076, 16 p.Article

Quantum mechanical study of stereoselectivity in the oxazaborolidine-catalyzed reduction of acetophenoneALAGONA, Giuliano; GHIO, Caterina; PERSICO, Maurizio et al.Journal of the American Chemical Society. 2003, Vol 125, Num 33, pp 10027-10039, issn 0002-7863, 13 p.Article

Continuum solvent effects on various isomers of bilirubin : Solvation and interactions in solution: Experimental and theoretical contributionsALAGONA, Giuliano; GHIO, Caterina; MONTI, Susanna et al.PCCP. Physical chemistry chemical physics (Print). 2000, Vol 2, Num 21, pp 4884-4890, issn 1463-9076Article

Theoretical conformational analysis for neurotransmitters in the gas phase and in aqueous solution. NorepinephrineNAGY, Peter I; ALAGONA, Giuliano; GHIO, Caterina et al.Journal of the American Chemical Society. 2003, Vol 125, Num 9, pp 2770-2785, issn 0002-7863, 16 p.Article

Cholic acid derivatives containing both 2-naphthylcarbamate and 3,5-dinitrophenylcarbamate groups: A combined circular dichroism-molecular mechanics approach to the definition of their molecular conformationALAGONA, Giuliano; GHIO, Caterina; IUIIANO, Anna et al.Journal of organic chemistry. 2003, Vol 68, Num 8, pp 3145-3157, issn 0022-3263, 13 p.Article

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