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ALAGONA, GIULIANO

ALAGONA, GIULIANO  

Istituto per i Processi Chimico-Fisici - IPCF  

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Titolo Data di pubblicazione Autore(i) File
5-Fluorouracil Dimers in Aqueous Solution: Molecular Dynamics in Water and Continuum Solvation 1-gen-2002 Alagona G.; Ghio C.; Monti S.
A test case for time-dependent density functional theory calculations of electronic circular dichroism: 2-chloro-4-methoxy-6- [(R)-1-phenylethylamino]-1,3,5- triazine 1-gen-2007 Alagona G.; Ghio C.; Monti S.
Ab Initio Investigation of the Methylimidazole-Indole Complexes, as Models of the Histidine-Tryptophan Pair 1-gen-1998 Alagona, G; Ghio, C; Monti, S
Ab Initio Modelling of Competitive Drug-Drug Interactions: 5-Fluorouracil Dimers in the Gas Phase and in Solution. 1-gen-2001 Alagona, G; Ghio, C; Monti, S
Ab Initio Study of Preferential Interactions Between Aromatic Side Chains 1-gen-1999 Alagona, G; Ghio, C; Monti, S
Alkyl-Rhodium Transition State Stabilities as a Tool to Predict Regio- and Stereoselectivity in the Hydroformylation of Chiral Substrates 1-gen-2005 Alagona, G; Ghio, C
Antioxidant properties of pterocarpans through their copper(II) coordination ability. A DFT study in vacuo and in aqueous solution (PCM) 1-gen-2009 Alagona, G; Ghio, C
B3LYP/6-31G* conformational landscape in vacuo of some pterocarpan stereoisomers with biological activity 1-gen-2004 Alagona G.; Ghio C.; Monti S.
Caco-2 cell permeability modelling: a neural network coupled genetic algorithm approach 1-gen-2007 Di Fenza, A; Alagona, G; Ghio, C; Leonardi, R; Giolitti, A; Madami, A
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 Conformation 1-gen-2003 Alagona G.; Ghio C.; Iuliano A.; Monti S.; Pieraccini I.; Salvadori P.
Competitive H-bonds in vacuo and in aqueous solution for N-protonated adrenaline and its monohydrated complexes 1-gen-2007 Alagona, G; Ghio, C
Complete 1,3 Asymmetric Induction into 3-Methyl-4-(3-Acetylpyrrol-1-yl)Butanal to 1-Acetyl-6-Methyl-8-Hydroxy-5,6,7,8-Tetrahydroindolizine Cyclization 1-gen-2006 Settambolo, R; Rocchiccioli, S; Lazzaroni, R; Alagona, G
Computational prediction of selectivities in nonreversible and reversible hydroformylation reactions catalysed by unmodified rhodium catalysts 1-gen-2011 Alagona, Giuliano; Lazzaroni, Raffaello; Ghio, Caterina
Computational prediction of the regio- and diastereoselectivity in a rhodium-catalyzed hydroformylation/cyclization domino process 1-gen-2007 Alagona, G; Ghio, C; Rocchiccioli, S
Computational Results Provide a Synthetically Unprecedented Explanation for the beta-Regioselectivity in the Rh-catalyzed Hydroformylation of Vinylidenic Substrates 1-gen-2009 Ghio, C; Lazzaroni, R; Alagona, G
Continuum Solvent Effects on Various Isomers of Bilirubin 1-gen-2000 G. Alagona; C. Ghio; S. Monti
Corrigendum to: "Investigation of alkyl metal intermediates formation in the rhodium-catalyzed hydro-formylation: experimental and theoretical approaches" [Coord. Chem. Rev. 254 (2010) 696-706] 1-gen-2011 Lazzaroni, Raffaello; Settambolo, Roberta; Alagona, Giuliano; Ghio, Caterina
Dependence of the Wittig reaction mechanism on the environment and on the substituents at the aldehyde group and at the phosphonium ylide 1-gen-2010 Alagona, G; Ghio, C
Free energy landscapes in THF for the Wittig reaction of acetaldehyde and triphenylphosphonium ylide 1-gen-2010 Alagona, G; Ghio, C
High linear regioselectivity in the rhodium-catalyzed hydro(deuterio)formylation of 3,4,4-trimethylpent-1-ene: the role of beta-hydride elimination 1-gen-2012 Lazzaroni, Raffaello; Settambolo, Roberta; Alagona, Giuliano; Ghio, Caterina