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Mechanistic Elucidation of Zirconium-Catalyzed Direct Amidation

Journal of the American Chemical Society, 2017-02, Vol.139 (6), p.2286-2295

2017

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Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes)2]+: A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N‑Heterocyclic Carbenes

Journal of the American Chemical Society, 2013-09, Vol.135 (37), p.13640-13643

2013

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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, 2020-11, Vol.26 (61), p.13880-13889

2020

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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, 2018-10, Vol.140 (39), p.12527-12537

2018

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Spin-Crossing in the (Z)‑Selective Alkyne Semihydrogenation Mechanism Catalyzed by Mo3S4 Clusters: A Density Functional Theory Exploration

Inorganic chemistry, 2024-01, Vol.63 (2), p.1000-1009

2024

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Combined Experimental and Computational Investigations of Rhodium- and Ruthenium-Catalyzed C–H Functionalization of Pyrazoles with Alkynes

Journal of organic chemistry, 2014-03, Vol.79 (5), p.1954-1970

2014

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Synthesis and Characterization of a Rhodium(I) σ-Alkane Complex in the Solid State

Science (American Association for the Advancement of Science), 2012-09, Vol.337 (6102), p.1648-1651

2012

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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, 2017-01, Vol.56 (1), p.186-196

Algarra, Andrés G

2017

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Base-Free Catalytic Hydrogen Production from Formic Acid Mediated by a Cubane-Type Mo3S4 Cluster Hydride

Inorganic chemistry, 2022-10, Vol.61 (42), p.16730-16739

2022

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Kinetic Analysis and Mechanism of the Hydrolytic Degradation of Squaramides and Squaramic Acids

Journal of organic chemistry, 2017-02, Vol.82 (4), p.2160-2170

2017

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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, 2017-08, Vol.38 (22), p.1966-1973

Algarra, Andrés G.

2017

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Three-Coordinate Nickel(I) Complexes Stabilised by Six-, Seven- and Eight-Membered Ring N-Heterocyclic Carbenes: Synthesis, EPR/DFT Studies and Catalytic Activity

Chemistry : a European journal, 2013-02, Vol.19 (6), p.2158-2167

2013

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Activation of Dichloromethane by a Bis-NHC CpRu Complex: Formation of a Pentamethyl(chloromethyl)cyclopentadiene Ligand

Organometallics, 2021-08, Vol.40 (15), p.2405-2408

2021

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Fe() complexes of pyridine-substituted thiosemicarbazone ligands as catalysts for oxidations with hydrogen peroxide

Dalton transactions : an international journal of inorganic chemistry, 2023-10, Vol.52 (4), p.1466-14612

2023

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Combined Experimental and Computational Investigations of Rhodium-Catalysed CH Functionalisation of Pyrazoles with Alkenes

Chemistry : a European journal, 2015-02, Vol.21 (7), p.3087-3096

2015

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Cuboidal Mo3S4 Clusters as a Platform for Exploring Catalysis: A Three-Center Sulfur Mechanism for Alkyne Semihydrogenation

ACS catalysis, 2018-08, Vol.8 (8), p.7346-7350

2018

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Computational study of the double C-Cl bond activation of dichloromethane and phosphine alkylation at [CoCl(PR3)3]

Dalton transactions : an international journal of inorganic chemistry, 2013-03, Vol.42 (12), p.4208-4217

2013

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A combined experimental and computational study of fluxional processes in sigma amine-borane complexes of rhodium and iridium

Dalton transactions : an international journal of inorganic chemistry, 2014-08, Vol.43 (29), p.11118-11128

2014

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Computational Insights into the Isomerism of Hexacoordinate Metal-Sarcophagine Complexes: The Relationship between Structure and Stability

European journal of inorganic chemistry, 2015-01, Vol.2015 (3), p.503-511

Algarra, Andrés G.

2015

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Kinetics Aspects of the Reversible Assembly of Copper in Heterometallic Mo3CuS4 Clusters with 4,4′-Di-tert-butyl-2,2′-bipyridine

Inorganic chemistry, 2016-10, Vol.55 (19), p.9912-9922

2016

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Coordination Chemistry of Cu2+ Complexes of Small N‑Alkylated Tetra-azacyclophanes with SOD Activity

Inorganic chemistry, 2018-09, Vol.57 (17), p.10961-10973

2018

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Natural Bond Orbital Analysis of the Electronic Structure of [L n M(CH3)] and [L n M(CF3)] Complexes

Organometallics, 2012-02, Vol.31 (4), p.1467-1476

2012

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Chiral [Mo3S4H3(diphosphine)3]+ Hydrido Clusters and Study of the Effect of the Metal Atom on the Kinetics of the Acid-Assisted Substitution of the Coordinated Hydride: Mo vs W

Inorganic chemistry, 2010-07, Vol.49 (13), p.5935-5942

2010

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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, 2021-11, Vol.2021 (42), p.4377-4382

2021

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Proton-assisted air oxidation mechanisms of iron() bis-thiosemicarbazone complexes at physiological pH: a kinetico-mechanistic study

Dalton transactions : an international journal of inorganic chemistry, 2019-11, Vol.48 (44), p.16578-16587

2019

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Mechanistic Elucidation of Zirconium-Catalyzed Direct Amidation

Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes)2]+: A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N‑Heterocyclic Carbenes

The Mechanism of the Intramolecular Hydrocarbyl Metathesis within a Planar Triruthenium Cluster: Combining Core Flexibility with Hydride Mobility

Mixed Explicit–Implicit Solvation Approach for Modeling of Alkane Complexation in Water-Soluble Self-Assembled Capsules

Spin-Crossing in the (Z)‑Selective Alkyne Semihydrogenation Mechanism Catalyzed by Mo3S4 Clusters: A Density Functional Theory Exploration

Combined Experimental and Computational Investigations of Rhodium- and Ruthenium-Catalyzed C–H Functionalization of Pyrazoles with Alkynes

Synthesis and Characterization of a Rhodium(I) σ-Alkane Complex in the Solid State

Computational Insights on the Mechanism of H2 Activation at Ir2S2(PPh3)4: A Combination of Multiple Reaction Pathways Involving Facile H Migration Processes

Base-Free Catalytic Hydrogen Production from Formic Acid Mediated by a Cubane-Type Mo3S4 Cluster Hydride

Kinetic Analysis and Mechanism of the Hydrolytic Degradation of Squaramides and Squaramic Acids

Computational insights into the S3 transfer reaction: A special case of double group transfer reaction featuring bicyclically delocalized aromatic transition state geometries

Three-Coordinate Nickel(I) Complexes Stabilised by Six-, Seven- and Eight-Membered Ring N-Heterocyclic Carbenes: Synthesis, EPR/DFT Studies and Catalytic Activity

Activation of Dichloromethane by a Bis-NHC CpRu Complex: Formation of a Pentamethyl(chloromethyl)cyclopentadiene Ligand

Fe() complexes of pyridine-substituted thiosemicarbazone ligands as catalysts for oxidations with hydrogen peroxide

Combined Experimental and Computational Investigations of Rhodium-Catalysed CH Functionalisation of Pyrazoles with Alkenes

Cuboidal Mo3S4 Clusters as a Platform for Exploring Catalysis: A Three-Center Sulfur Mechanism for Alkyne Semihydrogenation

Computational study of the double C-Cl bond activation of dichloromethane and phosphine alkylation at [CoCl(PR3)3]

A combined experimental and computational study of fluxional processes in sigma amine-borane complexes of rhodium and iridium

Computational Insights into the Isomerism of Hexacoordinate Metal-Sarcophagine Complexes: The Relationship between Structure and Stability

Kinetics Aspects of the Reversible Assembly of Copper in Heterometallic Mo3CuS4 Clusters with 4,4′-Di-tert-butyl-2,2′-bipyridine

Coordination Chemistry of Cu2+ Complexes of Small N‑Alkylated Tetra-azacyclophanes with SOD Activity

Natural Bond Orbital Analysis of the Electronic Structure of [L n M(CH3)] and [L n M(CF3)] Complexes

Chiral [Mo3S4H3(diphosphine)3]+ Hydrido Clusters and Study of the Effect of the Metal Atom on the Kinetics of the Acid-Assisted Substitution of the Coordinated Hydride: Mo vs W

Bifunctional W/NH Cuboidal Aminophosphino W3S4 Cluster Hydrides: The Puzzling Behaviour behind the Hydridic‐Protonic Interplay

Proton-assisted air oxidation mechanisms of iron() bis-thiosemicarbazone complexes at physiological pH: a kinetico-mechanistic study

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