| 1 |
Rhodium-Catalyzed Hydroformylation of Ketal-Masked beta-Isophorone: Computational Explanation for the Unexpected Reaction Evolution of the Tertiary Rh-Alkyl via an Exocyclic beta-Elimination Derivative
Alagona G, Ghio C
Journal of Physical Chemistry A, 119(21), 5117, 2015 |
| 2 |
High linear regioselectivity in the rhodium-catalyzed hydro(deuterio)formylation of 3,4,4-trimethylpent-1-ene: The role of beta-hydride elimination
Lazzaroni R, Settambolo R, Alagona G, Ghio C
Journal of Molecular Catalysis A-Chemical, 356, 1, 2012 |
| 3 |
Antioxidant Properties of Pterocarpans through Their Copper(II) Coordination Ability. A DFT Study in Vacuo and in Aqueous Solution
Alagona G, Ghio C
Journal of Physical Chemistry A, 113(52), 15206, 2009 |
| 4 |
Conformational landscape of (R,R)-pterocarpans with biological activity in vacuo and in aqueous solution (PCM and/or water clusters)
Alagona G, Ghio C
Journal of Physical Chemistry A, 110(2), 647, 2006 |
| 5 |
Structure and dynamics of the hydrogen-bond network around (R,R)-pterocarpans with biological activity in aqueous solution
Alagona G, Ghio C, Monti S
Journal of Physical Chemistry B, 109(35), 16918, 2005 |
| 6 |
Theoretical conformational analysis for neurotransmitters in the gas phase and in aqueous solution. Norepinephrine
Nagy PI, Alagona G, Ghio C, Takacs-Novak K
Journal of the American Chemical Society, 125(9), 2770, 2003 |
| 7 |
Quantum mechanical study of stereoselectivity in the oxazaborolidine-catalyzed reduction of acetophenone
Alagona G, Ghio C, Persico M, Tomasi S
Journal of the American Chemical Society, 125(33), 10027, 2003 |
| 8 |
Theoretical studies on the continuum solvation of some N,N ＇-dimethyl- and N-methyl,N ＇-acetyl-guanidine and guanidinium conformers
Alagona G, Ghio C, Nagy PI, Durant GJ
Journal of Physical Chemistry A, 103(12), 1857, 1999 |
| 9 |
Basis set, level, and continuum solvation effects on the stability of a synthetic dipeptide: PIDOTIMOD
Alagona G, Ghio C, Villani V
Journal of Physical Chemistry A, 103(29), 5823, 1999 |
| 10 |
Theoretical studies on the conformation of protonated dopamine in the gas phase and in aqueous solution
Nagy PI, Alagona G, Ghio C
Journal of the American Chemical Society, 121(20), 4804, 1999 |
