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Caterina Ghio

Showing results (1-10 of 15) with videos related to

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The Journal of Physical Chemistry. A|January 13, 2006
Conformational landscape of (R,R)-pterocarpans with biological activity in vacuo and in aqueous solution (PCM and/or water clusters)Giuliano Alagona, Caterina Ghio
Physical Chemistry Chemical Physics : PCCP|March 18, 2009
Plicatin B conformational landscape and affinity to copper (I and II) metal cations. A DFT studyGiuliano Alagona, Caterina Ghio
The Journal of Physical Chemistry. A|November 23, 2014
Rhodium-catalyzed hydroformylation of ketal-masked β-isophorone: computational explanation for the unexpected reaction evolution of the tertiary Rh-alkyl via an exocyclic β-elimination derivativeGiuliano Alagona, Caterina Ghio
The Journal of Physical Chemistry. A|October 17, 2009
Antioxidant properties of pterocarpans through their copper(II) coordination ability. A DFT study in vacuo and in aqueous solutionGiuliano Alagona, Caterina Ghio
Journal of Molecular Modeling|November 4, 2010
Computational prediction of selectivities in nonreversible and reversible hydroformylation reactions catalyzed by unmodified rhodium-carbonylsGiuliano Alagona, Raffaello Lazzaroni, Caterina Ghio
The Journal of Physical Chemistry. B|July 21, 2006
Structure and dynamics of the hydrogen-bond network around (R,R)-pterocarpans with biological activity in aqueous solutionGiuliano Alagona, Caterina Ghio, Susanna Monti
Journal of Molecular Modeling|May 23, 2007
Computational prediction of the regio- and diastereoselectivity in a rhodium-catalyzed hydroformylation/cyclization domino processGiuliano Alagona, Caterina Ghio, Silvia Rocchiccioli
Physical Chemistry Chemical Physics : PCCP|August 3, 2010
The catalytic effect of water on the keto-enol tautomerism. Pyruvate and acetylacetone: a computational challengeGiuliano Alagona, Caterina Ghio, Peter I Nagy
Journal of Chemical Theory and Computation|December 4, 2015
Theoretical Investigation of Tautomeric Equilibria for Isonicotinic Acid, 4-Pyridone, and Acetylacetone in Vacuo and in SolutionPeter I Nagy, Giuliano Alagona, Caterina Ghio
Journal of Computational Chemistry|December 17, 2002
The intramolecular mechanism for the second proton transfer in triosephosphate isomerase (TIM): a QM/FE approachGiuliano Alagona, Caterina Ghio, Peter A Kollman
Pageof 2

Showing results (1-10 of 15) with videos related to

Sort By:
Pageof 2
The Journal of Physical Chemistry. A|January 13, 2006
Conformational landscape of (R,R)-pterocarpans with biological activity in vacuo and in aqueous solution (PCM and/or water clusters)Giuliano Alagona, Caterina Ghio
Physical Chemistry Chemical Physics : PCCP|March 18, 2009
Plicatin B conformational landscape and affinity to copper (I and II) metal cations. A DFT studyGiuliano Alagona, Caterina Ghio
The Journal of Physical Chemistry. A|November 23, 2014
Rhodium-catalyzed hydroformylation of ketal-masked β-isophorone: computational explanation for the unexpected reaction evolution of the tertiary Rh-alkyl via an exocyclic β-elimination derivativeGiuliano Alagona, Caterina Ghio
The Journal of Physical Chemistry. A|October 17, 2009
Antioxidant properties of pterocarpans through their copper(II) coordination ability. A DFT study in vacuo and in aqueous solutionGiuliano Alagona, Caterina Ghio
Journal of Molecular Modeling|November 4, 2010
Computational prediction of selectivities in nonreversible and reversible hydroformylation reactions catalyzed by unmodified rhodium-carbonylsGiuliano Alagona, Raffaello Lazzaroni, Caterina Ghio
The Journal of Physical Chemistry. B|July 21, 2006
Structure and dynamics of the hydrogen-bond network around (R,R)-pterocarpans with biological activity in aqueous solutionGiuliano Alagona, Caterina Ghio, Susanna Monti
Journal of Molecular Modeling|May 23, 2007
Computational prediction of the regio- and diastereoselectivity in a rhodium-catalyzed hydroformylation/cyclization domino processGiuliano Alagona, Caterina Ghio, Silvia Rocchiccioli
Physical Chemistry Chemical Physics : PCCP|August 3, 2010
The catalytic effect of water on the keto-enol tautomerism. Pyruvate and acetylacetone: a computational challengeGiuliano Alagona, Caterina Ghio, Peter I Nagy
Journal of Chemical Theory and Computation|December 4, 2015
Theoretical Investigation of Tautomeric Equilibria for Isonicotinic Acid, 4-Pyridone, and Acetylacetone in Vacuo and in SolutionPeter I Nagy, Giuliano Alagona, Caterina Ghio
Journal of Computational Chemistry|December 17, 2002
The intramolecular mechanism for the second proton transfer in triosephosphate isomerase (TIM): a QM/FE approachGiuliano Alagona, Caterina Ghio, Peter A Kollman
Pageof 2