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.
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.
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.
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.
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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)
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.
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)
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)
Transition Metal Polyhydrides: From Qualitative Ideas to Reliable Computational Studies†
Feliu Maseras;Agusti Lledós;Eric Clot;Odile Eisenstein.
Chemical Reviews (2000)
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)
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.
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)
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)
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)
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