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Andrés G. Algarra

Universidad de Cádiz

H指数:21

被引数:1,577

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An AI-Powered Methodology for Atomic-Scale Analysis of Heterogenized Correlated Single-Atom Catalysts

一种用于异质化关联单原子催化剂原子级分析的AI驱动方法论

IF9.1

2025-05-090

OAAI

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

INORGANIC CHEMISTRY

IF4.7

2024-01-044

OAAI

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

DALTON TRANSACTIONS

IF3.3

2023-01-010

OA

Efficient (Z)-selective semihydrogenation of alkynes catalyzed by air-stable imidazolyl amino molybdenum cluster sulfides

INORGANIC CHEMISTRY FRONTIERS

IF6.4

2023-01-015

OA

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

INORGANIC CHEMISTRY

IF4.7

2022-10-142

OAAI

Catalytic Hydrogenation of Azobenzene in the Presence of a Cuboidal Mo3S4 Cluster via an Uncommon Sulfur-Based H2 Activation Mechanism

IF13.1

2020-12-2930

OAAI

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

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2020-09-281

PREAI

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

DALTON TRANSACTIONS

IF3.3

2019-01-014

PREAI

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

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2018-09-0617

OAAI

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

INORGANIC CHEMISTRY

IF4.7

2018-08-2121

PREAI

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

IF13.1

2018-07-0916

PREAI

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

IF4.8

2017-06-012

PREAI

Mechanistic Elucidation of Zirconium-Catalyzed Direct Amidation

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2017-02-0779

PREAI

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

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2017-02-0319

PREAI

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

IF4.7

2016-12-157

PREAI

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

INORGANIC CHEMISTRY

IF4.7

2016-09-2213

PREAI

On the Critical Effect of the Metal (Mo vs. W) on the [3+2] Cycloaddition Reaction of M3S4 Clusters with Alkynes: Insights from Experiment and Theory

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2015-09-078

PREAI

Mechanism of [3+2] Cycloaddition of Alkynes to the [Mo3S4(acac)3(py)3][PF6] Cluster

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2014-12-2114

OAAI

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

铑催化的吡唑与烯烃的c-h官能化的实验和计算研究相结合

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2014-12-1723

OAAI

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

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2014-02-2474

OAAI