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List of works by José I. García

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

scientific article published on 15 February 2008

Applied biotransformations in green solvents.

scientific article published on August 2010

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

scientific article published in October 2005

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

scientific article published on 01 January 2005

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

scientific article published on 13 June 2012

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

scientific article published in December 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

scientific article published on 01 December 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

scientific article

Enantioselective catalysis with chiral complexes immobilized on nanostructured supports.

scientific article published on 19 December 2008

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

scientific article published on 16 October 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.

scientific article published in January 2003

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

scientific article published on February 2015

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

scientific article published on 15 October 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

scientific article published on 29 May 2012

Noncovalent immobilization of enantioselective catalysts

scientific article published on 01 February 2009

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

scientific article

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

scientific article published on 17 September 2012

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

scientific article published on 01 January 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.

scientific article published in February 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.

scientific article

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)

scientific article published on 01 January 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.

scientific article published on 23 August 2005

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

scientific article published in April 2014

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

scientific article

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

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