sameAs
The role of distant mutations and allosteric regulation on LovD active site dynamicsOn the mechanism of the thermal retrocycloaddition of pyrrolidinofullerenes (retro-Prato reaction)A complete guide on the influence of metal clusters in the Diels-Alder regioselectivity of I(h)-C80 endohedral metallofullerenes.The reactivity of endohedral fullerenes. What can be learnt from computational studies?Covalently patterned graphene surfaces by a force-accelerated Diels-Alder reaction.Origins of stereoselectivity in evolved ketoreductases.Aromatic Claisen Rearrangements of O-prenylated tyrosine and model prenyl aryl ethers: Computational study of the role of water on acceleration of Claisen rearrangements.The roles of counterion and water in a stereoselective cysteine-catalyzed Rauhut-Currier reaction: a challenge for computational chemistry.Acceleration of an aromatic Claisen rearrangement via a designed spiroligozyme catalyst that mimics the ketosteroid isomerase catalytic dyad.The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes.Computational tools for the evaluation of laboratory-engineered biocatalysts.Scalable and selective dispersion of semiconducting arc-discharged carbon nanotubes by dithiafulvalene/thiophene copolymers for thin film transistors.On the mechanism of action of fullerene derivatives in superoxide dismutation.Endohedral metal-induced regioselective formation of bis-Prato adduct of Y3N@I(h)-C80 and Gd3N@I(h)-C80.Exploring the reversal of enantioselectivity on a zinc-dependent alcohol dehydrogenase.Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures.Inducing high activity of a thermophilic enzyme at ambient temperatures by directed evolution.Cycloaddition reactions of butadiene and 1,3-dipoles to curved arenes, fullerenes, and nanotubes: theoretical evaluation of the role of distortion energies on activation barriers.Reactivity and regioselectivity of noble gas endohedral fullerenes Ng@C(60) and Ng(2)@C(60) (Ng=He-Xe).Competitive retro-cycloaddition reaction in fullerene dimers connected through pyrrolidinopyrazolino rings.Diels-Alder reaction between cyclopentadiene and C60: an analysis of the performance of the ONIOM method for the study of chemical reactivity in fullerenes and nanotubes.Electrochemical control of the regioselectivity in the exohedral functionalization of C60: the role of aromaticity.Regioselective intramolecular nucleophilic addition of alcohols to C60: one-step formation of a cis-1 bicyclic-fused fullerene.Reactivity of Single-Walled Carbon Nanotubes in the Diels-Alder Cycloaddition Reaction: Distortion-Interaction Analysis along the Reaction Pathway.Full exploration of the Diels-Alder cycloaddition on metallofullerenes M3N@C80 (M = Sc, Lu, Gd): the D(5h) versus I(h) isomer and the influence of the metal cluster.Diels-Alder reactions of graphene: computational predictions of products and sites of reaction.The Diels-Alder reaction on endohedral Y3N@C78: the importance of the fullerene strain energy.H-bond-assisted regioselective (cis-1) intramolecular nucleophilic addition of the hydroxyl group to [60]fullerene.Dispersion corrections essential for the study of chemical reactivity in fullerenes.Effect of incarcerated HF on the exohedral chemical reactivity of HF@C60.Why bistetracenes are much less reactive than pentacenes in Diels-Alder reactions with fullerenes.The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes.Self-assembled tetragonal prismatic molecular cage highly selective for anionic π guests.Chemical reactivity of D3h C78 (metallo)fullerene: regioselectivity changes induced by Sc3N encapsulation.Role of Conformational Dynamics in the Evolution of Retro-Aldolase Activity.Molecular dynamics explorations of active site structure in designed and evolved enzymes.Exploring the origins of selectivity in soluble epoxide hydrolase from Bacillus megaterium.The Regioselectivity of Bingel-Hirsch Cycloadditions on Isolated Pentagon Rule Endohedral Metallofullerenes.Sponge-like molecular cage for purification of fullerenes.Bis-1,3-dipolar Cycloadditions on Endohedral Fullerenes M3N@Ih-C80 (M = Sc, Lu): Remarkable Endohedral-Cluster Regiochemical Control.
P50
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P50
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Spaans scheikundige
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Spanish chemist
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hulumtuese
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química española
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ricercatrice
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spanische Chemikerin und Forscherin
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taighdeoir
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հետազոտող
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Sílvia Osuna Oliveras
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Sílvia Osuna Oliveras
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Sílvia Osuna Oliveras
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Sílvia Osuna Oliveras
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Sílvia Osuna Oliveras
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Sílvia Osuna
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Sílvia Osuna Oliveras
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Sílvia Osuna Oliveras
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Sílvia Osuna Oliveras
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Sílvia Osuna Oliveras
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Sílvia Osuna Oliveras
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Sílvia Osuna Oliveras
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Sílvia Osuna Oliveras
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Sílvia Osuna Oliveras
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P214
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Sílvia Osuna Oliveras
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0000-0003-3657-6469
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1983-01-01T00:00:00Z
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