Soledad Gutiérrez-Oliva
Pontifical Catholic University of Chile
59 Papers
305 Citations
Soledad Gutiérrez-Oliva is an academic researcher from Pontifical Catholic University of Chile. The author has contributed to research in topics: Reaction coordinate & Chemistry. The author has an hindex of 23, co-authored 59 publications. Previous affiliations of Soledad Gutiérrez-Oliva include University of Chile & Chimie ParisTech.
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Papers
The reaction force: Three key points along an intrinsic reaction coordinate
Peter Politzer,Alejandro Toro-Labbé,Soledad Gutiérrez-Oliva,Bárbara Herrera,Pablo Jaque,Monica C. Concha,Jane S. Murray +6 more
TL;DR: In this paper, the reaction force is defined as three key points along an intrinsic reaction coordinate: the force minimum, zero and maximum, and the resulting four zones are interpreted as involving preparation of reactants in the first, transition to products in the second and third, and relaxation in the fourth.
The reaction force and the transition region of a reaction.
Alejandro Toro-Labbé,Soledad Gutiérrez-Oliva,Jane S. Murray,Jane S. Murray,Peter Politzer,Peter Politzer +5 more
TL;DR: Evidence supports the idea that a reaction should be viewed as going through a transition region rather than through a single point transition state, and describes this region as a chemically-active, or electronically-intensive stage of the reaction, while the ones that precede and follow it are structurally-intensive.
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On the Mechanism of Hydrogen Transfer in the HSCH(O) ⇌ (S)CHOH and HSNO ⇌ SNOH Reactions
TL;DR: The 1,3-intramolecular hydrogen transfer in the HSCH(O) <--> (S)CHOH and HSNO <--> SNOH reactions is studied through density functional theory calculations and finds that in both reactions the hydrogen transfer is activated by the structural rearrangement of the backbone atoms.
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Rationalization of Diels–Alder reactions through the use of the dual reactivity descriptor Δf(r)
TL;DR: The dual descriptor of chemical reactivity, an electronic density-based index, is used to study both the regioselectivities and the stereoselectivity of Diels-Alder reactions to provide insight into the stereOSElectivity.
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A Multiphilic Descriptor for Chemical Reactivity and Selectivity
J. Padmanabhan,Ramakrishnan Parthasarathi,M. Elango,V. Subramanian,Bellie Sundaram Krishnamoorthy,Soledad Gutiérrez-Oliva,Alejandro Toro-Labbé,Debesh R. Roy,Pratim Kumar Chattaraj +8 more
TL;DR: Chattaraj et al. as mentioned in this paper proposed a multiphilic descriptor which is capable of simultaneously explaining the nucleophilicity and electrophilicity of the given atomic sites in the molecule.
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