Search filters

List of works by Caterina Ghio

A theoretical study on reaction pathways to carbanions.

scientific article published on May 2000

Caco-2 cell permeability modelling: a neural network coupled genetic algorithm approach

scientific article published on 30 January 2007

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.

scientific article published in April 2003

Computational prediction of selectivities in nonreversible and reversible hydroformylation reactions catalyzed by unmodified rhodium-carbonyls.

scientific article published on 3 November 2010

Computational prediction of the regio- and diastereoselectivity in a rhodium-catalyzed hydroformylation/cyclization domino process

scientific article published on 22 May 2007

Conformational landscape of (R,R)-pterocarpans with biological activity in vacuo and in aqueous solution (PCM and/or water clusters).

scientific article published in January 2006

Plicatin B conformational landscape and affinity to copper (I and II) metal cations. A DFT study.

scientific article published on 16 December 2008

Quantum mechanical study of stereoselectivity in the oxazaborolidine-catalyzed reduction of acetophenone.

scientific article published in August 2003

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 derivative

scientific article published on 04 December 2014

Simple model for the effect of Glu165----Asp165 mutation on the rate of catalysis in triose phosphate isomerase

scientific article published on 01 September 1986

Structure and dynamics of the hydrogen-bond network around (R,R)-pterocarpans with biological activity in aqueous solution

scientific article published on 01 September 2005

The catalytic effect of water on the keto-enol tautomerism. Pyruvate and acetylacetone: a computational challenge.

scientific article published on 2 August 2010

The intramolecular mechanism for the second proton transfer in triosephosphate isomerase (TIM): a QM/FE approach

scientific article published in January 2003

Theoretical Conformational Analysis for Neurotransmitters in the Gas Phase and in Aqueous Solution. Serotonin

scientific article published on 01 September 2005

Theoretical Investigation of Tautomeric Equilibria for Isonicotinic Acid, 4-Pyridone, and Acetylacetone in Vacuo and in Solution

scientific article published in July 2007

Paulina is supported by:

About Paulina

Help