Caterina Ghio
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Chemical Reaction Mechanisms, Protein Structure and Dynamics, Crystallography and molecular interactions
Most-Cited Works
- → A new force field for molecular mechanical simulation of nucleic acids and proteins(1984)4,632 cited
- → Theoretical calculations on 1,2-ethanediol. Gauche-trans equilibrium in gas-phase and aqueous solution(1991)99 cited
- → Quantum mechanical and molecular mechanical studies on a model for the dihydroxyacetone phosphate-glyceraldehyde phosphate isomerization catalyzed by triose phosphate isomerase (TIM)(1984)87 cited
- → Ab initio studies of free and monohydrated carboxylic acids in the gas phase(1994)76 cited
- → Do Enzymes Stabilize Transition States by Electrostatic Interactions or pKa Balance: The Case of Triose Phosphate Isomerase (TIM)?(1995)72 cited
- → Theoretical calculations on 1,2-ethanediol. 2. Equilibrium of the gauche conformers with and without an intramolecular hydrogen bond in aqueous solution(1992)70 cited
- → Olefin Insertion into the Rhodium−Hydrogen Bond as the Step Determining the Regioselectivity of Rhodium-Catalyzed Hydroformylation of Vinyl Substrates: Comparison between Theoretical and Experimental Results(2001)69 cited
- → Theoretical Studies on the Conformation of Protonated Dopamine in the Gas Phase and in Aqueous Solution(1999)65 cited
- → Theoretical Conformational Analysis for Neurotransmitters in the Gas Phase and in Aqueous Solution. Norepinephrine(2003)63 cited
- → The catalytic effect of water on the keto–enol tautomerism. Pyruvate and acetylacetone: a computational challenge(2010)61 cited