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 68 Citations 17,444 264 World Ranking 3082 National Ranking 92

Overview

What is he best known for?

The fields of study he is best known for:

  • Organic chemistry
  • Catalysis
  • Alkene

Feliu Maseras mostly deals with Catalysis, Computational chemistry, Photochemistry, Medicinal chemistry and Stereochemistry. His work carried out in the field of Catalysis brings together such families of science as Zinc and Density functional theory. His Computational chemistry study combines topics in areas such as Coupling reaction, Negishi coupling, Steric effects, Olefin fiber and Mechanism.

His Medicinal chemistry research is multidisciplinary, incorporating perspectives in Activation energy, Palladium, Reactivity, Aryl and Intramolecular force. His Transition state study combines topics from a wide range of disciplines, such as Dihydroxylation and Energy minimization. His Energy minimization research is multidisciplinary, relying on both Statistical physics and Ab initio quantum chemistry methods.

His most cited work include:

  • IMOMM: A new integrated ab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states (1226 citations)
  • IMOMM: A new integrated ab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states (1226 citations)
  • Direct Arylation of Arene C−H Bonds by Cooperative Action of NHCarbene−Ruthenium(II) Catalyst and Carbonate via Proton Abstraction Mechanism (298 citations)

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

Feliu Maseras spends much of his time researching Catalysis, Computational chemistry, Medicinal chemistry, Stereochemistry and Photochemistry. His Catalysis study is concerned with the field of Organic chemistry as a whole. Feliu Maseras has included themes like Ab initio, Steric effects, Molecular orbital and Transition state in his Computational chemistry study.

He interconnects Ligand, Reactivity, Carbene, Aryl and Phosphine in the investigation of issues within Medicinal chemistry. His Stereochemistry research incorporates elements of Crystallography, Ring and Enantioselective synthesis. He has researched Photochemistry in several fields, including Transmetalation, Molecule, Metal and Mechanism.

He most often published in these fields:

  • Catalysis (29.41%)
  • Computational chemistry (24.51%)
  • Medicinal chemistry (20.59%)

What were the highlights of his more recent work (between 2017-2021)?

  • Catalysis (29.41%)
  • Combinatorial chemistry (8.17%)
  • Medicinal chemistry (20.59%)

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

Feliu Maseras mainly investigates Catalysis, Combinatorial chemistry, Medicinal chemistry, Nucleophile and Reactivity. His Catalysis study focuses mostly on Catalytic cycle, Transition metal, Ruthenium, Reaction mechanism and Reductive elimination. His studies deal with areas such as Photochemistry, Electronic structure and Electron donor as well as Reaction mechanism.

His work deals with themes such as Oxidative addition, Ligand, Alkyne, Carbene and Chemoselectivity, which intersect with Medicinal chemistry. His study focuses on the intersection of Reactivity and fields such as Polymer chemistry with connections in the field of Copper catalyzed and Ring. His Cover research focuses on Transmetalation and how it relates to Computational chemistry.

Between 2017 and 2021, his most popular works were:

  • A Domino Process toward Functionally Dense Quaternary Carbons through Pd-Catalyzed Decarboxylative C(sp3)-C(sp3) Bond Formation. (44 citations)
  • Calculation of Reaction Free Energies in Solution: A Comparison of Current Approaches. (38 citations)
  • Scope and Challenge of Computational Methods for Studying Mechanism and Reactivity in Homogeneous Catalysis (35 citations)

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

  • Organic chemistry
  • Catalysis
  • Alkene

Feliu Maseras focuses on Catalysis, Medicinal chemistry, Combinatorial chemistry, Allylic rearrangement and Ligand. His studies in Catalysis integrate themes in fields like Substituent and Reactivity. His research investigates the connection between Medicinal chemistry and topics such as Carbene that intersect with issues in Annulation, Steric effects and Aryl halide.

The study incorporates disciplines such as Metalation, Derivative, Protonolysis, Thioether and Reaction mechanism in addition to Combinatorial chemistry. His Allylic rearrangement research includes elements of Bond formation, Aldehyde, Substrate and Indene. His work in the fields of Ligand, such as Oxidative addition, intersects with other areas such as Metathesis.

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

IMOMM: A new integrated ab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states

Feliu Maseras;Feliu Maseras;Keiji Morokuma.
Journal of Computational Chemistry (1995)

1951 Citations

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)

411 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)

388 Citations

Direct Arylation of Arene C−H Bonds by Cooperative Action of NHCarbene−Ruthenium(II) Catalyst and Carbonate via Proton Abstraction Mechanism

Ismail Ozdemir;Serpil Demir;Bekir Cetinkaya;Christophe Gourlaouen.
Journal of the American Chemical Society (2008)

368 Citations

Transition Metal Polyhydrides: From Qualitative Ideas to Reliable Computational Studies†

Feliu Maseras;Agusti Lledós;Eric Clot;Odile Eisenstein.
Chemical Reviews (2000)

363 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)

297 Citations

Merging Sustainability with Organocatalysis in the Formation of Organic Carbonates by Using CO2 as a Feedstock

Christopher J. Whiteoak;Ainara Nova;Feliu Maseras;Arjan W. Kleij.
Chemsuschem (2012)

251 Citations

Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform

M. Álvarez-Moreno;C. de Graaf;N. López;F. Maseras.
Journal of Chemical Information and Modeling (2015)

245 Citations

Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.

Pablo Garrido-Barros;Ignacio Funes-Ardoiz;Samuel Drouet;Jordi Benet-Buchholz.
Journal of the American Chemical Society (2015)

199 Citations

Application of the New “Integrated MO + MM” (IMOMM) Method to the Organometallic Reaction Pt(PR3)2 + H2 (R = H, Me, t-Bu, and Ph)

Toshiaki Matsubara;Feliu Maseras;Nobuaki Koga;Keiji Morokuma.
The Journal of Physical Chemistry (1996)

185 Citations

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