Listar por autor "García Algarra, Andrés"

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

García Algarra, Andrés

; García Galindo, Juan Carlos

; Puerta, M. Carmen; Valerga Jiménez, Pedro Sixto; Jiménez Tenorio, Manuel

(AMER CHEMICAL SOC, 2021-08)

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

Aniceto-Ocaña, Paula; Marqueses Rodríguez, José

; Muñoz Ocaña, Juan Manuel

; Fernández-Trujillo Rey, María Jesús

; García Algarra, Andrés

; Rodríguez Chía, Antonio Manuel

; Calvino Gámez, José Juan

; Castillo González, Carmen Esther

; López Haro, Miguel

(John Wiley and Sons Inc, 2025)

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

Guillamón, Eva; Sorribes, Iván; S. Safont, Vicent; García Algarra, Andrés

; Fernández-Trujillo Rey, María Jesús

; Pedrajas Gual, Elena; Llusar, Rosa; García Basallote, Manuel

(AMER CHEMICAL SOC, 2022-10)

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

Guillamón, Eva; F. Beltrán, Tomás; S. Safont, Vicent; Castillo González, Carmen Esther

; García Algarra, Andrés

; Fernández-Trujillo Rey, María Jesús

; Pedrajas Gual, Elena; Pino Chamorro, Jose Ángel; García Basallote, Manuel

; Llusar, Rosa (Wiley, 2021)

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

Guillamón, Eva; Oliva, Mónica; Andrés, Juan; Llusar, Rosa; Pedrajas, Elena; Safont, Vicent S.; García Algarra, Andrés

; García Basallote, Manuel

(American Chemical Society, 2021)

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

García Algarra, Andrés

(Willey, 2015)

Computational Insights into the Mechanisms of H2 Activation and H2/D2 Isotope Exchange by Dimolybdenum Tetrasulfide Complexes

García Algarra, Andrés

(Willey, 2016)

Computational Insights on the Geometrical Arrangements of Cu(II) with a Mixed-Donor N3S3 Macrobicyclic Ligand

García Algarra, Andrés

; Aullón, Gabriel; V. Bernhardt, Paul; Martínez, Manuel (ACS Publications, 2014)

Cycloaddition of alkynes to diimino Mo3S4 cubane-type clusters: a combined experimental and theoretical approach

García Algarra, Andrés

; Pino-Chamorro, Jose Ángel; A. Laricheva, Yuliya; Guillamón, Eva; Fernández-Trujillo Rey, María Jesús

; Bustelo, Emilio; L. Gushchin, Artem; Y. Shmelev, Nikita; A. Abramov, Pavel; N. Sokolov, Maxim; Llusar, Rosa; García Basallote, Manuel

(The Royal Society of Chemistry and Owner Societies, 2016)

A DFTand TD-DFTApproach to the Understanding of Statistical Kinetics in Substitution Reactions of M3Q4 (M=Mo, W; Q=S, Se) Cuboidal Clusters

García Algarra, Andrés

; Fernández-Trujillo Rey, María Jesús

; García Basallote, Manuel

(Willey, 2012)

Equilibrium and kinetics studies on bibrachial lariat aza-crown/Cu(II) systems reveal different behavior associated with small changes in the structure

Castillo González, Carmen Esther

; García Algarra, Andrés

; Ferrer, Armando; Máñez Muñoz, María Ángeles

; García Basallote, Manuel

; Clares, M. Paz; Soriano, Concepción; Albelda, M. Teresa; García España, Enrique (Elsevier, 2014)

Estudio del comportamientocinético-mecanístico de clústeres M3Q4 (M = Mo, W; Q = S, Se) y compuestos relacionados

García Algarra, Andrés

(Servicio de Publicaciones de la Universidad de Cádiz, 2009-06-01)

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

Ximenis, Marta; Bustelo, Emilio; García Algarra, Andrés

; Vega, Manel; Rotger, Carmen; García Basallote, Manuel

; Costa, Antonio (American Chemical Society, 2017)

Kinetic and DFT Studies on the Mechanism of C−S Bond Formation by Alkyne Addition to the [Mo3S4(H2O)9]4+ Cluster

Pino-Chamorro, Jose Ángel; García Algarra, Andrés

; Fernández-Trujillo Rey, María Jesús

; Hernández-Molina, Rita; García Basallote, Manuel

(ACS Publications, 2013-11)

Kinetic, DFT and TD-DFT studies on the mechanism of stabilization of pyramidal H3PO3 at the [Mo3M´S4(H2O)10]4+ clusters (M´ = Pd, Ni)

García Algarra, Andrés

; Fernández-Trujillo Rey, María Jesús

; Hernández Molina, Rita; García Basallote, Manuel

(The Royal Society of Chemistry, 2011)

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

Pino-Chamorro, Jose Ángel; A. Laricheva, Yuliya; Guillamón, Eva; Fernández-Trujillo Rey, María Jesús

; García Algarra, Andrés

; L. Gushchin, Artem; A. Abramov, Pavel; Bustelo, Emilio; Llusar, Rosa; N. Sokolov, Maxim; García Basallote, Manuel

(2016-09)

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

Pino-Chamorro, Jose Ángel; L. Gushchin, Artem; Fernández-Trujillo Rey, María Jesús

; Hernández-Molina, Rita; Vicent, Cristian; García Algarra, Andrés

; García Basallote, Manuel

(Willey, 2015)

Microwave-Assisted One-Pot Synthesis of Isothiouronium Salts: Experimental and DFT Insights into Silica-Promoted Cyclization toward Thiazolidinium and Thiazole Frameworks

Macías Benítez, Pablo

; García Algarra, Andrés

; Moreno Dorado, Francisco Javier

; Guerra Martínez, Francisco Miguel

(American Chemical Society, 2025-09-05)

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

Daver, Henrik; García Algarra, Andrés

; Rebek, Julius; Harvey, Jeremy N.; Himo, Fahmi (American Chemical Society, 2018)

Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B$NH3 as probed by experiment and computation

Kumar, Amit; C. Johnson, Heather; N. Hooper, Thomas; S. Weller, Andrew; García Algarra, Andrés

; A. Macgregor, Stuart (ROYAL SOC CHEMISTRY, 2014)

Listar por autor "García Algarra, Andrés"

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

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

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

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

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

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

Computational Insights into the Mechanisms of H2 Activation and H2/D2 Isotope Exchange by Dimolybdenum Tetrasulfide Complexes ﻿

Computational Insights on the Geometrical Arrangements of Cu(II) with a Mixed-Donor N3S3 Macrobicyclic Ligand ﻿

Cycloaddition of alkynes to diimino Mo3S4 cubane-type clusters: a combined experimental and theoretical approach ﻿

A DFTand TD-DFTApproach to the Understanding of Statistical Kinetics in Substitution Reactions of M3Q4 (M=Mo, W; Q=S, Se) Cuboidal Clusters ﻿

Equilibrium and kinetics studies on bibrachial lariat aza-crown/Cu(II) systems reveal different behavior associated with small changes in the structure ﻿

Estudio del comportamientocinético-mecanístico de clústeres M3Q4 (M = Mo, W; Q = S, Se) y compuestos relacionados ﻿

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

Kinetic and DFT Studies on the Mechanism of C−S Bond Formation by Alkyne Addition to the [Mo3S4(H2O)9]4+ Cluster ﻿

Kinetic, DFT and TD-DFT studies on the mechanism of stabilization of pyramidal H3PO3 at the [Mo3M´S4(H2O)10]4+ clusters (M´ = Pd, Ni) ﻿

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

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

Microwave-Assisted One-Pot Synthesis of Isothiouronium Salts: Experimental and DFT Insights into Silica-Promoted Cyclization toward Thiazolidinium and Thiazole Frameworks ﻿

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

Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B$NH3 as probed by experiment and computation ﻿

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

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

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

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

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

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

Computational Insights into the Mechanisms of H2 Activation and H2/D2 Isotope Exchange by Dimolybdenum Tetrasulfide Complexes

Computational Insights on the Geometrical Arrangements of Cu(II) with a Mixed-Donor N3S3 Macrobicyclic Ligand

Cycloaddition of alkynes to diimino Mo3S4 cubane-type clusters: a combined experimental and theoretical approach

A DFTand TD-DFTApproach to the Understanding of Statistical Kinetics in Substitution Reactions of M3Q4 (M=Mo, W; Q=S, Se) Cuboidal Clusters

Equilibrium and kinetics studies on bibrachial lariat aza-crown/Cu(II) systems reveal different behavior associated with small changes in the structure

Estudio del comportamientocinético-mecanístico de clústeres M3Q4 (M = Mo, W; Q = S, Se) y compuestos relacionados

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

Kinetic and DFT Studies on the Mechanism of C−S Bond Formation by Alkyne Addition to the [Mo3S4(H2O)9]4+ Cluster

Kinetic, DFT and TD-DFT studies on the mechanism of stabilization of pyramidal H3PO3 at the [Mo3M´S4(H2O)10]4+ clusters (M´ = Pd, Ni)

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

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

Microwave-Assisted One-Pot Synthesis of Isothiouronium Salts: Experimental and DFT Insights into Silica-Promoted Cyclization toward Thiazolidinium and Thiazole Frameworks

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

Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B$NH3 as probed by experiment and computation