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Theoretical and Computational Chemistry

Working Paper

Nucleation Mechanisms and Speciation of Metal Oxide Clusters

Enric Petrus, Mireia Segado, Carles Bo

Version 1 posted 13 July 2020

331

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Organometallic Chemistry

Working Paper

On the Mechanism of the Nickel-Catalyzed Boron Insertion into the C−O Bond of Benzofuran

Ana Mateo-Martínez, Hayate Saito, Hideki Yorimitsu, Carles Bo

Version 1 posted 21 June 2019

519

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Catalysis

Working Paper

Organocatalytic Trapping of Elusive Carbon Dioxide based Heterocycles through a Kinetically Controlled Cascade Process

Chang Qiao, Alba Villar-Yanez, Josefine Sprachmann, Bart Limburg, Carles Bo, Arjan. W. Kleij

Version 1 posted 22 May 2020

504

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Inorganic Chemistry

Working Paper

Linker-Cluster Cooperativity in Confinement of Proline-Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction

Zarfishan Dilruba, Ardeshir Dadgar Yeganeh, Kolin Sofia, Sadia Noor, Hassan Shatla, Carl Wieland, Bo-Hung Yu, Katrin Gugeler, Anna Zens, Johannes Kästner, Deven Estes, Kristyna Pluhackova, Simon Krause, Sabine Laschat

Version 1 posted 04 November 2024

95

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Organic Chemistry

Working Paper

Atom-Economical Cross-Coupling of Internal and Terminal Alkynes to Access 1,3-Enynes

Mingyu Liu, Tianhua Tang, Omar Apolinar, Rei Matsuura, Carl Busacca, Bo Qu, Daniel Fandrick, Olga Zatolochnaya, Chris Senanayake, Jinhua Song, Keary Engle

Version 1 posted 16 October 2020

1,150

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Theoretical and Computational Chemistry

Working Paper

Chemical Reaction Network Knowledge Graphs: the OntoRXN Ontology

Diego Garay-Ruiz, Carles Bo

Version 1 posted 18 March 2022

267

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Inorganic Chemistry

Working Paper

Computational Prediction of Speciation Diagrams and Nucleation Mechanisms: Molecular Vanadium, Niobium and Tantalum Oxide Nanoclusters in Solution

Enric Petrus, Mireia Segado-Centellas, Carles Bo

Version 1 posted 08 March 2022

307

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1

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Catalysis

Working Paper

Effect of an Al(III) Complex on the Regio- and Stereoisomeric Formation of Bicyclic Organic Carbonates

Cristina Maquilón, Bart Limburg, Victor Laserna, Diego Garay-Ruiz, Joan González Fabra, Carles Bo, Marta Martinez Belmonte, Eduardo C. Escudero Adán, Arjan. W. Kleij

Version 1 posted 13 January 2020

427

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Theoretical and Computational Chemistry

Working Paper

Human-Readable SMILES: Translating Cheminformatics to Chemistry

Diego Garay-Ruiz, Carles Bo, Diego Garay Ruiz

Version 1 posted 19 March 2021

1,211

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1

Citations

Inorganic Chemistry

Working Paper

Unlocking Phase Diagrams for Molybdenum and Tungsten Nanoclusters and Prediction of their Formation Constants

Enric Petrus, Carles Bo

Version 1 posted 25 March 2021

328

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13 results in Carles Bo in Authors: Carles Bo

Nucleation Mechanisms and Speciation of Metal Oxide Clusters

On the Mechanism of the Nickel-Catalyzed Boron Insertion into the C−O Bond of Benzofuran

Organocatalytic Trapping of Elusive Carbon Dioxide based Heterocycles through a Kinetically Controlled Cascade Process

Linker-Cluster Cooperativity in Confinement of Proline-Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction

Atom-Economical Cross-Coupling of Internal and Terminal Alkynes to Access 1,3-Enynes

Chemical Reaction Network Knowledge Graphs: the OntoRXN Ontology

Computational Prediction of Speciation Diagrams and Nucleation Mechanisms: Molecular Vanadium, Niobium and Tantalum Oxide Nanoclusters in Solution

Effect of an Al(III) Complex on the Regio- and Stereoisomeric Formation of Bicyclic Organic Carbonates

Human-Readable SMILES: Translating Cheminformatics to Chemistry

Unlocking Phase Diagrams for Molybdenum and Tungsten Nanoclusters and Prediction of their Formation Constants

13 results in Authors: Carles Bo