Lista de obras - José I. García - Dominio Público Uruguay

Accurate Calculation of Chemical Shifts in Highly Dynamic H2@C60through an Integrated Quantum Mechanics/Molecular Dynamics Scheme

article

An efficient and straightforward access to sulfur substituted [2.2]paracyclophanes: application to stereoselective sulfenate salt alkylation

artículo científico publicado en 2008

Applied biotransformations in green solvents.

artículo científico publicado en 2010

Are AM1 ligand-protein binding enthalpies good enough for use in the rational design of new drugs?

artículo científico publicado en 2005

Asymmetric versusC2-Symmetric Ligands: Origin of the Enantioselectivity in Ruthenium-Pybox-Catalyzed Cyclopropanation Reactions

artículo científico publicado en 2005

Bis(oxazoline)-based coordination polymers: a recoverable system for enantioselective Henry reactions

artículo científico publicado en 2012

Bis(oxazoline)copper complexes covalently bonded to insoluble support as catalysts in cyclopropanation reactions.

artículo científico publicado en 2001

Can Enantioselectivity be Computed in Enthalpic Barrierless Reactions? The Case of CuI-Catalyzed Cyclopropanation of Alkenes

scientific article published on 09 November 2010

Conformational preferences of methacrolein in Diels-Alder and 1,3-dipolar cycloaddition reactions

artículo científico publicado en 2006

DFT studies on cobalt-catalyzed cyclotrimerization reactions: the mechanism and origin of reaction improvement under microwave irradiation

scientific article published on 04 April 2012

Do secondary orbital interactions really exist?

scientific article published on 01 October 2000

Ecotoxicity and QSAR studies of glycerol ethers in Daphnia magna

artículo científico publicado en 2017

Enantioselective catalysis with chiral complexes immobilized on nanostructured supports.

artículo científico publicado en 2008

Glycerol as a source of designer solvents: physicochemical properties of low melting mixtures containing glycerol ethers and ammonium salts

artículo científico publicado en 2017

Glycerol based solvents: synthesis, properties and applications

Glycerol-based solvents as green reaction media in epoxidations with hydrogen peroxide catalysed by bis[3,5-bis(trifluoromethyl)-diphenyl] diselenide

Immobilizing a single pybox ligand onto a library of solid supports.

artículo científico publicado en 2003

Influence of Polarity and Activation Energy in Microwave-Assisted Organic Synthesis (MAOS).

artículo científico publicado en 2015

Linking homogeneous and heterogeneous enantioselective catalysis through a self-assembled coordination polymer

artículo científico publicado en 2008

Mechanistic study of the ring-size modulation in Michael–Dieckmann type reactions of 2-acylaminoacrylates with ketene diethyl acetal

Multiphase enantioselective Kharasch-Sosnovsky allylic oxidation based on neoteric solvents and copper complexes of ditopic ligands

artículo científico publicado en 2012

Noncovalent immobilization of enantioselective catalysts

artículo científico publicado en 2009

Polytopic bis(oxazoline)-based ligands for recoverable catalytic systems applied to the enantioselective Henry reaction.

artículo científico publicado en 2015

Predicting the enantioselectivity of the copper-catalysed cyclopropanation of alkenes by using quantitative quadrant-diagram representations of the catalysts

artículo científico publicado en 2012

QM/MM Modeling of Enantioselective Pybox–Ruthenium- and Box–Copper-Catalyzed Cyclopropanation Reactions: Scope, Performance, and Applications to Ligand Design

artículo científico publicado en 2007

Simple and efficient heterogeneous copper catalysts for enantioselective C-H carbene insertion

scientific article published on 27 January 2007

Solvent effects on the 9-hydroxymethylanthracene + N-ethylmaleimide Diels-Alder reaction. A theoretical study.

artículo científico publicado en 2005

Spectroscopic Study of the Structure of Bis(oxazoline)copper Complexes in Solution and Immobilized on Laponite Clay. Influence of the Structure on the Catalytic Performance

Stereoselectivity induced by support confinement effects. Aza-pyridinoxazolines: A new family of C(1)-symmetric ligands for copper-catalyzed enantioselective cyclopropanation reactions.

artículo científico publicado en 2010

Study of the asymmetric diels-alder reaction of a chiral azlactone

Supported ionic-liquid films (SILF) as two-dimensional nanoreactors for enantioselective reactions: surface-mediated selectivity modulation (SMSM)

artículo científico publicado en 2007

Surface Confinement Effects on Enantioselective Cyclopropanation. Reactions with Supported Chiral 8-Oxazolinylquinoline−Copper Complexes

The First Immobilization of Pyridine-bis(oxazoline) Chiral Ligands

article

The first synthesis of organic-inorganic hybrid materials with chiral bis(oxazoline) ligands.

artículo científico publicado en 2005

The issue of 'molecular radiators' in microwave-assisted reactions. Computational calculations on ring closing metathesis (RCM).

artículo científico publicado en 2014

The role of binding constants in the efficiency of chiral catalysts immobilized by electrostatic interactions: the case of azabis(oxazoline)-copper complexes.

artículo científico publicado en 2004

The unusual reactivity of benzene and monosubstituted benzenes towards tetracyanoethylene oxide: a theoretical study

Theoretical Analysis of the Electron Spin Density Distribution of the Flavin Semiquinone Isoalloxazine Ring within Model Protein Environments

Understanding the unusual regioselectivity in the nucleophilic ring-opening reactions of gem-disubstituted cyclic sulfates. Experimental and theoretical studies

scientific article published on 01 May 2003

Lista de obras de José I. García

Accurate Calculation of Chemical Shifts in Highly Dynamic H2@C60through an Integrated Quantum Mechanics/Molecular Dynamics Scheme

An efficient and straightforward access to sulfur substituted [2.2]paracyclophanes: application to stereoselective sulfenate salt alkylation

Applied biotransformations in green solvents.

Are AM1 ligand-protein binding enthalpies good enough for use in the rational design of new drugs?

Asymmetric versusC2-Symmetric Ligands: Origin of the Enantioselectivity in Ruthenium-Pybox-Catalyzed Cyclopropanation Reactions

Bis(oxazoline)-based coordination polymers: a recoverable system for enantioselective Henry reactions

Bis(oxazoline)copper complexes covalently bonded to insoluble support as catalysts in cyclopropanation reactions.

Can Enantioselectivity be Computed in Enthalpic Barrierless Reactions? The Case of CuI-Catalyzed Cyclopropanation of Alkenes

Conformational preferences of methacrolein in Diels-Alder and 1,3-dipolar cycloaddition reactions

DFT studies on cobalt-catalyzed cyclotrimerization reactions: the mechanism and origin of reaction improvement under microwave irradiation

Do secondary orbital interactions really exist?

Ecotoxicity and QSAR studies of glycerol ethers in Daphnia magna

Enantioselective catalysis with chiral complexes immobilized on nanostructured supports.

Glycerol as a source of designer solvents: physicochemical properties of low melting mixtures containing glycerol ethers and ammonium salts

Glycerol based solvents: synthesis, properties and applications

Glycerol-based solvents as green reaction media in epoxidations with hydrogen peroxide catalysed by bis[3,5-bis(trifluoromethyl)-diphenyl] diselenide

Immobilizing a single pybox ligand onto a library of solid supports.

Influence of Polarity and Activation Energy in Microwave-Assisted Organic Synthesis (MAOS).

Linking homogeneous and heterogeneous enantioselective catalysis through a self-assembled coordination polymer

Mechanistic study of the ring-size modulation in Michael–Dieckmann type reactions of 2-acylaminoacrylates with ketene diethyl acetal

Multiphase enantioselective Kharasch-Sosnovsky allylic oxidation based on neoteric solvents and copper complexes of ditopic ligands

Noncovalent immobilization of enantioselective catalysts

Polytopic bis(oxazoline)-based ligands for recoverable catalytic systems applied to the enantioselective Henry reaction.

Predicting the enantioselectivity of the copper-catalysed cyclopropanation of alkenes by using quantitative quadrant-diagram representations of the catalysts

QM/MM Modeling of Enantioselective Pybox–Ruthenium- and Box–Copper-Catalyzed Cyclopropanation Reactions: Scope, Performance, and Applications to Ligand Design

Simple and efficient heterogeneous copper catalysts for enantioselective C-H carbene insertion

Solvent effects on the 9-hydroxymethylanthracene + N-ethylmaleimide Diels-Alder reaction. A theoretical study.

Spectroscopic Study of the Structure of Bis(oxazoline)copper Complexes in Solution and Immobilized on Laponite Clay. Influence of the Structure on the Catalytic Performance

Stereoselectivity induced by support confinement effects. Aza-pyridinoxazolines: A new family of C(1)-symmetric ligands for copper-catalyzed enantioselective cyclopropanation reactions.

Study of the asymmetric diels-alder reaction of a chiral azlactone

Supported ionic-liquid films (SILF) as two-dimensional nanoreactors for enantioselective reactions: surface-mediated selectivity modulation (SMSM)

Surface Confinement Effects on Enantioselective Cyclopropanation. Reactions with Supported Chiral 8-Oxazolinylquinoline−Copper Complexes

The First Immobilization of Pyridine-bis(oxazoline) Chiral Ligands

The first synthesis of organic-inorganic hybrid materials with chiral bis(oxazoline) ligands.

The issue of 'molecular radiators' in microwave-assisted reactions. Computational calculations on ring closing metathesis (RCM).

The role of binding constants in the efficiency of chiral catalysts immobilized by electrostatic interactions: the case of azabis(oxazoline)-copper complexes.

The unusual reactivity of benzene and monosubstituted benzenes towards tetracyanoethylene oxide: a theoretical study

Theoretical Analysis of the Electron Spin Density Distribution of the Flavin Semiquinone Isoalloxazine Ring within Model Protein Environments

Understanding the unusual regioselectivity in the nucleophilic ring-opening reactions of gem-disubstituted cyclic sulfates. Experimental and theoretical studies