ANDRES
GARCIA ALGARRA
Profesor Titular de Universidad
Publicaciones (62) Publicaciones de ANDRES GARCIA ALGARRA
2024
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Spin-Crossing in the (Z)-Selective Alkyne Semihydrogenation Mechanism Catalyzed by Mo3S4 Clusters: A Density Functional Theory Exploration
Inorganic chemistry, Vol. 63, Núm. 2, pp. 1000-1009
2023
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Efficient (Z)-selective semihydrogenation of alkynes catalyzed by air-stable imidazolyl amino molybdenum cluster sulfides
Inorganic Chemistry Frontiers, Vol. 10, Núm. 6, pp. 1786-1794
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Fe(ii) complexes of pyridine-substituted thiosemicarbazone ligands as catalysts for oxidations with hydrogen peroxide
Dalton Transactions, Vol. 52, Núm. 40, pp. 14606-14612
2022
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Base-Free Catalytic Hydrogen Production from Formic Acid Mediated by a Cubane-Type Mo3S4Cluster Hydride
Inorganic Chemistry, Vol. 61, Núm. 42, pp. 16730-16739
2021
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Activation of Dichloromethane by a Bis-NHC Cp*Ru Complex: Formation of a Pentamethyl(chloromethyl)cyclopentadiene Ligand
Organometallics, Vol. 40, Núm. 15, pp. 2405-2408
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Bifunctional W/NH Cuboidal Aminophosphino W3S4 Cluster Hydrides: The Puzzling Behaviour behind the Hydridic-Protonic Interplay
European Journal of Inorganic Chemistry, Vol. 2021, Núm. 42, pp. 4377-4382
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Catalytic Hydrogenation of Azobenzene in the Presence of a Cuboidal Mo3S4Cluster via an Uncommon Sulfur-Based H2Activation Mechanism
ACS Catalysis, Vol. 11, Núm. 2, pp. 608-614
2020
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Benchmarking of DFT methods using experimental free energies and volumes of activation for the cycloaddition of alkynes to cuboidal Mo3S4 clusters
International Journal of Quantum Chemistry, Vol. 120, Núm. 19
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Computational studies of the solid-state molecular organometallic (SMOM) chemistry of Rh σ-alkane complexes
Structure and Bonding (Springer Science and Business Media Deutschland GmbH), pp. 183-228
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The Mechanism of the Intramolecular Hydrocarbyl Metathesis within a Planar Triruthenium Cluster: Combining Core Flexibility with Hydride Mobility
Chemistry - A European Journal, Vol. 26, Núm. 61, pp. 13880-13889
2019
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Proton-assisted air oxidation mechanisms of iron(ii) bis-thiosemicarbazone complexes at physiological pH: a kinetico-mechanistic study
Dalton Transactions, Vol. 48, Núm. 44, pp. 16578-16587
2018
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Coordination Chemistry of Cu2+ Complexes of Small N-Alkylated Tetra-azacyclophanes with SOD Activity
Inorganic Chemistry, Vol. 57, Núm. 17, pp. 10961-10973
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Cuboidal Mo3S4 Clusters as a Platform for Exploring Catalysis: A Three-Center Sulfur Mechanism for Alkyne Semihydrogenation
ACS Catalysis, Vol. 8, Núm. 8, pp. 7346-7350
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Mixed Explicit-Implicit Solvation Approach for Modeling of Alkane Complexation in Water-Soluble Self-Assembled Capsules
Journal of the American Chemical Society, Vol. 140, Núm. 39, pp. 12527-12537
2017
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Computational Insights Into the Reactivity at the Sulfur Atoms of M3S4 (M = Mo, W) Clusters: The Mechanism of [3 + 2] Cycloaddition With Alkynes
Advances in Inorganic Chemistry (Academic Press Inc.), pp. 311-342
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Computational Insights on the Mechanism of H2 Activation at Ir2S2(PPh3)4: A Combination of Multiple Reaction Pathways Involving Facile H Migration Processes
Inorganic Chemistry, Vol. 56, Núm. 1, pp. 186-196
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Computational insights into the S3 transfer reaction: A special case of double group transfer reaction featuring bicyclically delocalized aromatic transition state geometries
Journal of Computational Chemistry, Vol. 38, Núm. 22, pp. 1966-1973
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Kinetic Analysis and Mechanism of the Hydrolytic Degradation of Squaramides and Squaramic Acids
Journal of Organic Chemistry, Vol. 82, Núm. 4, pp. 2160-2170
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Mechanistic Elucidation of Zirconium-Catalyzed Direct Amidation
Journal of the American Chemical Society, Vol. 139, Núm. 6, pp. 2286-2295
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Studies on the Reactivity of the [W3S4Br3(edpp)3]+ [edpp = (2-aminoethyl)diphenylphosphine] Cluster Cation towards Bases: The Active Role of the Amino Group
European Journal of Inorganic Chemistry, Vol. 2017, Núm. 43, pp. 5006-5014