D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 47 Citations 7,132 131 World Ranking 11961 National Ranking 472

Overview

What is he best known for?

The fields of study he is best known for:

  • Catalysis
  • Organic chemistry
  • Alkene

Gregori Ujaque focuses on Catalysis, Photochemistry, Computational chemistry, Stereochemistry and Reaction mechanism. In his study, Sonogashira coupling and Stille reaction is inextricably linked to Density functional theory, which falls within the broad field of Catalysis. His Photochemistry research includes themes of Alkylation, Ligand and Homogeneous catalysis.

His studies deal with areas such as Transmetalation, Electrophile, Coupling reaction, Negishi coupling and Phosphine as well as Computational chemistry. His Transmetalation research incorporates themes from Oxidative addition and Palladium. Gregori Ujaque combines subjects such as Medicinal chemistry, Solvent, Schiff base, Nucleophile and Double bond with his study of Reaction mechanism.

His most cited work include:

  • A DFT Study of the Full Catalytic Cycle of the Suzuki−Miyaura Cross-Coupling on a Model System (281 citations)
  • Computational characterization of the role of the base in the Suzuki-Miyaura cross-coupling reaction. (251 citations)
  • Computational Perspective on Pd-Catalyzed C–C Cross-Coupling Reaction Mechanisms (196 citations)

What are the main themes of his work throughout his whole career to date?

His primary areas of study are Catalysis, Computational chemistry, Medicinal chemistry, Reaction mechanism and Stereochemistry. His work deals with themes such as Combinatorial chemistry, Photochemistry and Ligand, which intersect with Catalysis. His Computational chemistry study incorporates themes from Transmetalation, Coupling reaction, Solvent, Homogeneous catalysis and Palladium.

His Medicinal chemistry research also works with subjects such as

  • Nucleophile together with Hydroamination,
  • Regioselectivity that intertwine with fields like Intermolecular force. Gregori Ujaque has included themes like Concerted reaction, Olefin fiber and Density functional theory in his Reaction mechanism study. His Stereochemistry research is multidisciplinary, incorporating elements of Crystallography, Migratory insertion, Ab initio quantum chemistry methods and Transition state.

He most often published in these fields:

  • Catalysis (47.48%)
  • Computational chemistry (29.50%)
  • Medicinal chemistry (25.90%)

What were the highlights of his more recent work (between 2015-2021)?

  • Catalysis (47.48%)
  • Medicinal chemistry (25.90%)
  • Alkyl (5.76%)

In recent papers he was focusing on the following fields of study:

The scientist’s investigation covers issues in Catalysis, Medicinal chemistry, Alkyl, Reductive elimination and Isomerization. His study in Catalysis focuses on Reaction mechanism in particular. His Reaction mechanism research is multidisciplinary, relying on both Aryl and Hydroamination.

As part of one scientific family, Gregori Ujaque deals mainly with the area of Medicinal chemistry, narrowing it down to issues related to the Imine, and often Sulfonyl, Tetrahydrofuran, Cationic polymerization, Aziridine and Carbocation. His Alkyl study combines topics from a wide range of disciplines, such as Crabtree's catalyst and Iridium. His Reductive elimination research focuses on Supramolecular chemistry and how it connects with Reaction rate, Physical chemistry and Polymer chemistry.

Between 2015 and 2021, his most popular works were:

  • Acid Activation in Phenyliodine Dicarboxylates: Direct Observation, Structures, and Implications (60 citations)
  • Calculation of Reaction Free Energies in Solution: A Comparison of Current Approaches. (38 citations)
  • First-Principles Molecular Dynamics Studies of Organometallic Complexes and Homogeneous Catalytic Processes (25 citations)

In his most recent research, the most cited papers focused on:

  • Organic chemistry
  • Catalysis
  • Alkene

His primary scientific interests are in Catalysis, Stereochemistry, Reactivity, Medicinal chemistry and Imine. His research on Catalysis often connects related topics like Valence. Gregori Ujaque interconnects Reagent, Hypervalent molecule, Acid activation and Organic synthesis in the investigation of issues within Stereochemistry.

His research in Reactivity intersects with topics in Tetrahydrofuran, Asymmetric hydrogenation, Ligand, Alkyl and Cationic polymerization. His biological study spans a wide range of topics, including Reductive elimination, Selectivity, Aziridine and Isomerization. His Imine study frequently links to adjacent areas such as Sulfonyl.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

A DFT Study of the Full Catalytic Cycle of the Suzuki−Miyaura Cross-Coupling on a Model System

Ataualpa A. C. Braga;Gregori Ujaque;Feliu Maseras.
Organometallics (2006)

431 Citations

Computational characterization of the role of the base in the Suzuki-Miyaura cross-coupling reaction.

Ataualpa A C Braga;Nelson H Morgon;Gregori Ujaque;Feliu Maseras.
Journal of the American Chemical Society (2005)

408 Citations

Computational Perspective on Pd-Catalyzed C–C Cross-Coupling Reaction Mechanisms

Max García-Melchor;Ataualpa A. C. Braga;Agustí Lledós;Gregori Ujaque.
Accounts of Chemical Research (2013)

338 Citations

Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways

Isaac Alonso;Beatriz Trillo;Fernando López;Sergi Montserrat.
Journal of the American Chemical Society (2009)

321 Citations

The reaction mechanism of the hydroamination of alkenes catalyzed by gold(I)-phosphine: the role of the counterion and the N-nucleophile substituents in the proton-transfer step.

Gábor Kovács;Gregori Ujaque;Agustí Lledos.
Journal of the American Chemical Society (2008)

217 Citations

C-C reductive elimination in palladium complexes, and the role of coupling additives. A DFT study supported by experiment.

Martín Pérez-Rodríguez;Ataualpa A. C. Braga;Max Garcia-Melchor;Mónica H. Pérez-Temprano.
Journal of the American Chemical Society (2009)

194 Citations

Computational study of the transmetalation process in the Suzuki–Miyaura cross-coupling of aryls

Ataualpa A.C. Braga;Nelson H. Morgon;Gregori Ujaque;Agustí Lledós.
Journal of Organometallic Chemistry (2006)

179 Citations

Single-Site Homogeneous and Heterogeneized Gold(III) Hydrogenation Catalysts: Mechanistic Implications

Aleix Comas-Vives;C. González-Arellano;A. Corma;M. Iglesias.
Journal of the American Chemical Society (2006)

167 Citations

Theory Does Not Support an Osmaoxetane Intermediate in the Osmium-Catalyzed Dihydroxylation of Olefins

Stefan Dapprich;Gregori Ujaque;Feliu Maseras;Agustí Lledós.
Journal of the American Chemical Society (1996)

162 Citations

Gold-Catalyzed [4C+3C] Intramolecular Cycloaddition of Allenedienes: Synthetic Potential and Mechanistic Implications

Beatriz Trillo;Fernando López;Fernando López;Sergi Montserrat;Gregori Ujaque.
Chemistry: A European Journal (2009)

155 Citations

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