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List of works by Mårten Ahlquist

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

scientific article published on 18 March 2014

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

scientific article published in September 2014

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

scientific article published in March 2006

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

scientific article published on 12 March 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

scientific article published on 06 September 2013

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

scientific article published on 01 January 2007

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

scientific article published on October 13, 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

scientific article

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

scientific article

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

scientific article published on 01 May 2006

Highly efficient and robust molecular ruthenium catalysts for water oxidation.

scientific article

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

scientific article published in November 2014

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

scientific article

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

scientific article

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

scientific article published on 15 December 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

scientific article published on 17 June 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

scientific article

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

scientific article published on 21 November 2014

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

scientific article published in December 2008

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

scientific article

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

scientific article published in February 2009

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

scientific article published on 20 July 2005

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

scientific article published on 27 March 2012

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

scientific article published on 22 December 2020

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

scientific article published in December 2009

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

scientific article published on 26 June 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.

scientific article published on 16 February 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

scientific article published on 01 October 2006

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

scientific article

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

scientific article published on 20 September 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.

scientific article

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

scientific article published on 14 January 2014

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

scientific article published on 01 June 2014

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