Mårten S. G. Ahlquist

发表

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

Sason Shaik, Per-Ola Norrby, Sebastian Kozuch, 2006 .

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

Licheng Sun, R. Staehle, A. Fischer, 2014, Inorganic chemistry.

Capturing the Role of Explicit Solvent in the Dimerization of RuV (bda) Water Oxidation Catalysts.

S. C. Kamerlin, Shaoqi Zhan, Miha Purg, 2017, Angewandte Chemie.

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

D. Tanner, P. Fristrup, P. Norrby, 2008, The journal of physical chemistry. A.

The Ru-tpc Water Oxidation Catalyst and Beyond: Water Nucleophilic Attack Pathway versus Radical Coupling Pathway

Licheng Sun, Q. Daniel, Ping Huang, 2017 .

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

Mårten S. G. Ahlquist, Ying Wang, Mårten S. G. Ahlquist, 2014, Physical chemistry chemical physics : PCCP.

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

Licheng Sun, Mårten S. G. Ahlquist, Lei Wang, 2014, Chemical communications.

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

Mårten S. G. Ahlquist, Ying Wang, Mårten S. G. Ahlquist, 2014, Dalton transactions.

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

Licheng Sun, Yunhua Xu, A. Fischer, 2012, Inorganic chemistry.

Molybdenum and boron synergistically boosting efficient electrochemical nitrogen fixation

C. Tai, Licheng Sun, G. Crespo, 2020 .

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

V. Fokin, Mårten S. G. Ahlquist, Mårten S. G. Ahlquist, 2007 .

Reduced State of Iridium PCP Pincer Complexes in Electrochemical CO2 Hydrogenation

T. Tamm, I. Osadchuk, Mårten S. G. Ahlquist, 2016 .

Bicarbonate Hydrogenation Catalyzed by Iron: How the Choice of Solvent Can Reverse the Reaction

Liqin Xue, Mårten S. G. Ahlquist, Rocío Marcos, 2016 .

Theoretical Investigation of a Parallel Catalytic Cycle in CO2 Hydrogenation by (PNP)IrH3

T. Tamm, I. Osadchuk, Mårten S. G. Ahlquist, 2015 .

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

Liqin Xue, Mårten S. G. Ahlquist, Mårten S. G. Ahlquist, 2014, Inorganic chemistry.

One site is enough: a theoretical investigation of iron-catalyzed dehydrogenation of formic Acid.

Liqin Xue, Mårten S. G. Ahlquist, R. Sánchez-de-Armas, 2013, Chemistry.

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

Mårten S. G. Ahlquist, Mårten S. G. Ahlquist, 2010 .

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

W. Goddard, R. Periana, Robert J Nielsen, 2009, Journal of the American Chemical Society.

Intramolecular hydroxyl nucleophilic attack pathway by a polymeric water oxidation catalyst with single cobalt sites

I. Furó, Licheng Sun, Yawen Liu, 2022, Nature Catalysis.

Why Is There a Barrier in the Coupling of Two Radicals in the Water Oxidation Reaction

Shaoqi Zhan, Ting Fan, Mårten S. G. Ahlquist, 2016 .

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

W. Goddard, R. Periana, Robert J Nielsen, 2009, Journal of the American Chemical Society.

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

W. Goddard, R. Periana, Mårten S. G. Ahlquist, 2009, Chemical communications.

Formation of N-oxide in the third oxidation of [RuII(tpy)(L)(OH2)]2.

Ž. Rinkevičius, Mårten S. G. Ahlquist, Ying Wang, 2017, Chemical communications.

Copper‐Catalyzed Synthesis of N‐Sulfonyl‐1,2,3‐triazoles: Controlling Selectivity.

K. Sharpless, V. Fokin, Sukbok Chang, 2007 .

Evidence for Oxidative Decay of a Ru-Bound Ligand during Catalyzed Water Oxidation

Kevin J. Gagnon, R. Thummel, Lars Kohler, 2017 .

Utilizing the Surface Electrostatic Potential to Predict the Interactions of Pt and Ni Nanoparticles with Lewis Acids and Bases—σ-Lumps and σ-Holes Govern the Catalytic Activities

T. Brinck, Ge Li, J. Stenlid, 2020, The Journal of Physical Chemistry C.

Aggregation and Significant Difference in Reactivity Therein: Blocking the CO2-to-CH3OH Reaction

Mårten S. G. Ahlquist, Xiaoyu Chen, Dongli Wei, 2021, Organometallics.

An Experimental and Theoretical Study of the Mechanism of Stannylcupration of α,β‐Acetylenic Ketones and Esters

D. Tanner, T. Nielsen, P. Norrby, 2006 .

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

K. Sharpless, V. Fokin, Sukbok Chang, 2007, Angewandte Chemie.

Molecular Engineering of Photocathodes based on Polythiophene Organic Semiconductors for Photoelectrochemical Hydrogen Generation.

Licheng Sun, Ke Fan, Xiujuan Wu, 2021, ACS applied materials & interfaces.

Highly efficient and robust molecular ruthenium catalysts for water oxidation

Licheng Sun, C. M. Araujo, Mårten S. G. Ahlquist, 2012, Proceedings of the National Academy of Sciences.

Alkene Epoxidation Catalysts [Ru(pdc)(tpy)] and [Ru(pdc)(pybox)] Revisited: Revealing a Unique RuIV═O Structure from a Dimethyl Sulfoxide Coordinating Complex

Licheng Sun, Junliang Sun, Hong Chen, 2015 .

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

Mei Wang, F. Zhang, Licheng Sun, 2014, ChemSusChem.

Understanding the Enhanced Catalytic CO2 Reduction upon Adhering Cobalt Porphyrin to Carbon Nanotubes and the Inverse Loading Effect

K. Daasbjerg, Mårten S. G. Ahlquist, Xin‐Ming Hu, 2020 .

Electrostatic Interactions Accelerating Water Oxidation Catalysis via Intercatalyst O-O Coupling.

Q. Tian, Biaobiao Zhang, Shaoqi Zhan, 2021, Journal of the American Chemical Society.

Isolation and Identification of Pseudo Seven-Coordinate Ru(III) Intermediate Completing the Catalytic Cycle of Ru-bda Type of Water Oxidation Catalysts

Licheng Sun, Biaobiao Zhang, Linqin Wang, 2021 .

Nucleophilic Attack by OH2 or OH–: A Detailed Investigation on pH-Dependent Performance of a Ru Catalyst

Shaoqi Zhan, Mårten S. G. Ahlquist, Ying Wang, 2018, Organometallics.

Iridium Hydride Complexes with Cyclohexyl-Based Pincer Ligands: Fluxionality and Deuterium Exchange

O. Wendt, A. Polukeev, Mårten S. G. Ahlquist, 2016 .

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

Mei Wang, Licheng Sun, D. Zheng, 2013, Journal of the American Chemical Society.

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

Mei Wang, Licheng Sun, Mårten S. G. Ahlquist, 2012, Chemical communications.

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

Licheng Sun, Q. Daniel, Biaobiao Zhang, 2018 .

Mechanistic studies on proton transfer in a [FeFe] hydrogenase mimic complex.

Mårten S. G. Ahlquist, Ying Wang, 2013, Dalton transactions.

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

P. Norrby, T. Skrydstrup, Mårten S. G. Ahlquist, 2006, Angewandte Chemie.

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

G. Fabrizi, P. Norrby, S. Cacchi, 2005, Chemical communications.

Paired Electrocatalytic Oxygenation and Hydrogenation of Organic Substrates with Water as the Oxygen and Hydrogen Source

Licheng Sun, Biaobiao Zhang, Peili Zhang, 2019, Angewandte Chemie.

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

Mårten S. G. Ahlquist, R. Sánchez-de-Armas, Mårten S. G. Ahlquist, 2015, Physical chemistry chemical physics : PCCP.

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

O. Wendt, A. Polukeev, Mårten S. G. Ahlquist, 2015, Chemical science.

Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.

Magnus T. Johnson, K. Rissanen, M. Cetina, 2013, Dalton transactions.

Promoting Selective Generation of Formic Acid from CO2 Using Mn(bpy)(CO)3Br as Electrocatalyst and Triethylamine/Isopropanol as Additives.

S. Pedersen, K. Daasbjerg, T. Skrydstrup, 2021, Journal of the American Chemical Society.

Iridium-catalysed enantioselective formal deoxygenation of racemic alcohols via asymmetric hydrogenation

P. Andersson, Mårten S. G. Ahlquist, Jia Zheng, 2019, Nature Catalysis.

Mechanisms of the CO2 Insertion into (PCP) Palladium Allyl and Methyl sigma-Bonds. A Kinetic and Computational Study

Magnus T. Johnson, G. Steyl, O. Wendt, 2010 .

Development and mechanistic investigation of the manganese(iii) salen-catalyzed dehydrogenation of alcohols

R. Madsen, Mårten S. G. Ahlquist, Simone V. Samuelsen, 2018, Chemical science.

Alkynes and Late Transition Metals - Theory, Reactions and Mechanism

D. Tanner, P. Norrby, Mårten S. G. Ahlquist, 2007 .

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

K. Sharpless, V. Fokin, Sukbok Chang, 2008, The Journal of organic chemistry.

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

O. Wendt, Klara J. Jonasson, A. Polukeev, 2015, Angewandte Chemie.

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

P. Norrby, Mårten S. G. Ahlquist, Mårten S. G. Ahlquist, 2007 .

Dual-ionic imidazolium salts to promote synthesis of cyclic carbonates at atmospheric pressure

H. Ågren, Li Wang, Jinglai Zhang, 2021 .

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

G. Fabrizi, P. Norrby, S. Cacchi, 2006, Journal of the American Chemical Society.

Base-Catalyzed Stereospecific Isomerization of Electron-Deficient Allylic Alcohols and Ethers through Ion-Pairing.

B. Martín‐Matute, A. Sanz‐Marco, Mårten S. G. Ahlquist, 2016, Journal of the American Chemical Society.

Site‐ and Enantioselective Iridium‐Catalyzed Desymmetric Mono‐Hydrogenation of 1,4‐Dienes

P. Andersson, Haibo Wu, M. Nolan, 2021, Angewandte Chemie.

Tetrameric Aryl Palladium Bromide Intermediates Leading to Facile Transmetalation in Suzuki–Miyaura Cross-Couplings with Pd@MIL-101-NH2(Cr)

C. Tai, B. Martín‐Matute, Alejandro Valiente, 2021 .

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

M. Gustafsson, M. Thaning, O. Wendt, 2007 .

Csp3 -H Activation without Chelation Assistance in an Iridium Pincer Complex Forming Cyclometallated Products.

O. Wendt, A. Polukeev, Mårten S. G. Ahlquist, 2017, Chemistry.

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

O. Wendt, A. Polukeev, Mårten S. G. Ahlquist, 2016, Chemistry.

Dalton Transactions

Magnus T. Johnson, K. Rissanen, M. Cetina, 2013 .

Rearranging from 6-to 7-coordination initiates the catalytic activity : An EPR study on a Ru-bda water oxidation catalyst

Licheng Sun, Q. Daniel, S. Styring, 2017 .

Reactivity of NHC Au(I)-C sigma-bonds with electrophiles. An investigation of their possible involvement in catalytic C-C bond formation

Magnus T. Johnson, O. Wendt, Mårten S. G. Ahlquist, 2011 .

Mechanistic study on the photo carboxylation of benzylic C-H bonds by xanthone and Ni(0) catalysts

Hai-Zhu Yu, Yao Fu, Mårten S. G. Ahlquist, 2021 .

Molecular engineering for efficient and selective iron porphyrin catalysts for electrochemical reduction of CO2 to CO.

Licheng Sun, Q. Daniel, Biaobiao Zhang, 2016, Chemical communications.

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

W. Goddard, R. Periana, V. R. Ziatdinov, 2013, Journal of the American Chemical Society.