Lista de obras -

A DFT study: why do [Ni(P(R)(2)N(R')2)2]2+ complexes facilitate the electrocatalytic oxidation of formate?

artículo científico publicado en 2014

A computational study of the mechanism for water oxidation by (bpc)(bpy)Ru(II)OH2.

artículo científico publicado en 2014

An experimental and theoretical study of the mechanism of stannylcupration of alpha,beta-acetylenic ketones and esters.

artículo científico publicado en 2006

C-H activation in strongly acidic media. The co-catalytic effect of the reaction medium.

artículo científico publicado en 2009

Carbon−Oxygen Bond Forming Mechanisms in Rhenium Oxo-Alkyl Complexes

scholarly article by Mu-Jeng Cheng et al published 10 May 2010 in Organometallics

Catalytic activation of H2 under mild conditions by an [FeFe]-hydrogenase model via an active μ-hydride species

artículo científico publicado en 2013

Copper-catalyzed synthesis of N-sulfonyl-1,2,3-triazoles: controlling selectivity

artículo científico publicado en 2007

Dispersion and Back‐Donation Gives Tetracoordinate [Pd(PPh3)4] ⬇️

artículo científico publicado el 13 de octubre de 2011

Dynamics and Reactions of Molecular Ru Catalysts at Carbon Nanotube-Water Interfaces

scientific article published on 09 June 2018

Enhanced Reactivity of Dinuclear Copper(I) Acetylides in Dipolar Cycloadditions

artículo científico publicado en 2007

Formation of a C-C double bond from two aliphatic carbons. Multiple C-H activations in an iridium pincer complex.

artículo científico publicado en 2015

Heck coupling with nonactivated alkenyl tosylates and phosphates: examples of effective 1,2-migrations of the alkenyl palladium(II) intermediates

artículo científico publicado en 2006

Highly efficient and robust molecular ruthenium catalysts for water oxidation.

artículo científico publicado en 2012

Highly efficient and robust molecular water oxidation catalysts based on ruthenium complexes.

artículo científico publicado en 2014

Iridium catalyzed hydrogenation of CO2 under basic conditions—Mechanistic insight from theory

artículo científico publicado en 2010

Light-Driven Proton Reduction in Aqueous Medium Catalyzed by a Family of Cobalt Complexes with Tetradentate Polypyridine-Type Ligands

artículo científico publicado en 2015

Mechanistic studies on NaHCO3 hydrogenation and HCOOH dehydrogenation reactions catalysed by a Fe(II) linear tetraphosphine complex

artículo científico publicado en 2017

Mechanistic studies on the Cu-catalyzed three-component reactions of sulfonyl azides, 1-alkynes and amines, alcohols, or water: dichotomy via a common pathway

artículo científico publicado en 2008

Nickel complex with internal bases as efficient molecular catalyst for photochemical H2 production

scientific article published on 01 September 2014

On the Performance of Continuum Solvation Models for the Solvation Energy of Small Anions

artículo científico publicado en 2006

On the nature of hydrogen bonds to platinum(II)--which interaction can predict their strength?

artículo científico publicado en 2014

On the nature of the intermediates and the role of chloride ions in Pd-catalyzed allylic alkylations: added insight from density functional theory.

artículo científico publicado en 2008

Oxidative Addition of Aryl Chlorides to Monoligated Palladium(0): A DFT-SCRF Study

artículo científico publicado en 2007

Oxy-functionalization of nucleophilic rhenium(I) metal carbon bonds catalyzed by selenium(IV).

artículo científico publicado en 2009

Palladium(0) alkyne complexes as active species: a DFT investigation

artículo científico publicado en 2005

Pendant amine bases speed up proton transfers to metals by splitting the barriers

artículo científico publicado en 2012

Pivotal Electron Delivery Effect of the Cobalt Catalyst in Photocarboxylation of Alkynes: A DFT Calculation

artículo científico publicado en 2020

Product protection, the key to developing high performance methane selective oxidation catalysts

artículo científico publicado en 2009

Reversible α-Hydrogen and α-Alkyl Elimination in PC(sp(3))P Pincer Complexes of Iridium.

artículo científico publicado en 2015

Rhodium(I) hydrogenation in water: Kinetic studies and the detection of an intermediate using 13C{1H} PHIP NMR spectroscopy

Solvent-Dependent Structure of Iridium Dihydride Complexes: Different Geometries at Low and High Dielectricity of the Medium.

artículo científico publicado en 2016

The Carboxylate Ligand as an Oxide Relay in Catalytic Water Oxidation

scientific article published on 25 June 2019

The mechanism of the phosphine-free palladium-catalyzed hydroarylation of alkynes

artículo científico publicado en 2006

Theoretical Evidence for Low-Ligated Palladium(0): [Pd−L] as the Active Species in Oxidative Addition Reactions

artículo científico publicado en 2006

Using reduced catalysts for oxidation reactions: mechanistic studies of the "Periana-Catalytica" system for CH4 oxidation

artículo científico publicado en 2013

Water Oxidation Initiated by In Situ Dimerization of the Molecular Ru(pdc) Catalyst

Water oxidation catalysis: influence of anionic ligands upon the redox properties and catalytic performance of mononuclear ruthenium complexes.

artículo científico publicado en 2012

Water oxidation catalyzed by mononuclear ruthenium complexes with a 2,2'-bipyridine-6,6'-dicarboxylate (bda) ligand: how ligand environment influences the catalytic behavior

artículo científico publicado en 2014

Where does the water go? A computational study on the reactivity of a ruthenium(V) oxo complex (bpc)(bpy)Ru(V)O

artículo científico publicado en 2014

Lista de obras de

A DFT study: why do [Ni(P(R)(2)N(R')2)2]2+ complexes facilitate the electrocatalytic oxidation of formate?

A computational study of the mechanism for water oxidation by (bpc)(bpy)Ru(II)OH2.

An experimental and theoretical study of the mechanism of stannylcupration of alpha,beta-acetylenic ketones and esters.

C-H activation in strongly acidic media. The co-catalytic effect of the reaction medium.

Carbon−Oxygen Bond Forming Mechanisms in Rhenium Oxo-Alkyl Complexes

Catalytic activation of H2 under mild conditions by an [FeFe]-hydrogenase model via an active μ-hydride species

Copper-catalyzed synthesis of N-sulfonyl-1,2,3-triazoles: controlling selectivity

Dispersion and Back‐Donation Gives Tetracoordinate [Pd(PPh3)4] ⬇️

Dynamics and Reactions of Molecular Ru Catalysts at Carbon Nanotube-Water Interfaces

Enhanced Reactivity of Dinuclear Copper(I) Acetylides in Dipolar Cycloadditions

Formation of a C-C double bond from two aliphatic carbons. Multiple C-H activations in an iridium pincer complex.

Heck coupling with nonactivated alkenyl tosylates and phosphates: examples of effective 1,2-migrations of the alkenyl palladium(II) intermediates

Highly efficient and robust molecular ruthenium catalysts for water oxidation.

Highly efficient and robust molecular water oxidation catalysts based on ruthenium complexes.

Iridium catalyzed hydrogenation of CO2 under basic conditions—Mechanistic insight from theory

Light-Driven Proton Reduction in Aqueous Medium Catalyzed by a Family of Cobalt Complexes with Tetradentate Polypyridine-Type Ligands

Mechanistic studies on NaHCO3 hydrogenation and HCOOH dehydrogenation reactions catalysed by a Fe(II) linear tetraphosphine complex

Mechanistic studies on the Cu-catalyzed three-component reactions of sulfonyl azides, 1-alkynes and amines, alcohols, or water: dichotomy via a common pathway

Nickel complex with internal bases as efficient molecular catalyst for photochemical H2 production

On the Performance of Continuum Solvation Models for the Solvation Energy of Small Anions

On the nature of hydrogen bonds to platinum(II)--which interaction can predict their strength?

On the nature of the intermediates and the role of chloride ions in Pd-catalyzed allylic alkylations: added insight from density functional theory.

Oxidative Addition of Aryl Chlorides to Monoligated Palladium(0): A DFT-SCRF Study

Oxy-functionalization of nucleophilic rhenium(I) metal carbon bonds catalyzed by selenium(IV).

Palladium(0) alkyne complexes as active species: a DFT investigation

Pendant amine bases speed up proton transfers to metals by splitting the barriers

Pivotal Electron Delivery Effect of the Cobalt Catalyst in Photocarboxylation of Alkynes: A DFT Calculation

Product protection, the key to developing high performance methane selective oxidation catalysts

Reversible α-Hydrogen and α-Alkyl Elimination in PC(sp(3))P Pincer Complexes of Iridium.

Rhodium(I) hydrogenation in water: Kinetic studies and the detection of an intermediate using 13C{1H} PHIP NMR spectroscopy

Solvent-Dependent Structure of Iridium Dihydride Complexes: Different Geometries at Low and High Dielectricity of the Medium.

The Carboxylate Ligand as an Oxide Relay in Catalytic Water Oxidation

The mechanism of the phosphine-free palladium-catalyzed hydroarylation of alkynes

Theoretical Evidence for Low-Ligated Palladium(0): [Pd−L] as the Active Species in Oxidative Addition Reactions

Using reduced catalysts for oxidation reactions: mechanistic studies of the "Periana-Catalytica" system for CH4 oxidation

Water Oxidation Initiated by In Situ Dimerization of the Molecular Ru(pdc) Catalyst

Water oxidation catalysis: influence of anionic ligands upon the redox properties and catalytic performance of mononuclear ruthenium complexes.

Water oxidation catalyzed by mononuclear ruthenium complexes with a 2,2'-bipyridine-6,6'-dicarboxylate (bda) ligand: how ligand environment influences the catalytic behavior

Where does the water go? A computational study on the reactivity of a ruthenium(V) oxo complex (bpc)(bpy)Ru(V)O