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List of works by Maurice van Gastel

A functional [NiFe]-hydrogenase model compound that undergoes biologically relevant reversible thiolate protonation

scientific article

A metal-metal bond in the light-induced state of [NiFe] hydrogenases with relevance to hydrogen evolution

scientific article

An unusal case of facile non-degenerate P-C bond making and breaking.

scientific article published on 5 April 2012

Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis

article

Computational study of the electronic structure and magnetic properties of the Ni–C state in [NiFe] hydrogenases including the second coordination sphere

article by Mario Kampa et al published 5 October 2012 in Journal of Biological Inorganic Chemistry

Crystalline Divinyldiarsene Radical Cations and Dications

scientific article published on 23 October 2019

EPR and Quantum Chemical Investigation of a Bioinspired Hydrogenase Model with a Redox-Active Ligand in the First Coordination Sphere

article

Electronic Structure and Spin Multiplicity of Iron Tetraphenylporphyrins in Their Reduced States as Determined by a Combination of Resonance Raman Spectroscopy and Quantum Chemistry

scientific article published on 31 January 2018

Electronic Structure of a Formal Iron(0) Porphyrin Complex Relevant to CO2 Reduction

scientific article

Electronic structure of the cysteine thiyl radical: a DFT and correlated ab initio study

scientific article published in February 2004

Enhanced Electrophilicity of Heterobimetallic Bi-Rh Paddlewheel Carbene Complexes: A Combined Experimental, Spectroscopic, and Computational Study

scientific article published on 01 October 2018

Finding the Reactive Electron in Paramagnetic Systems: A Critical Evaluation of Accuracies for EPR Spectroscopy and Density Functional Theory Using 1,3,5-Triphenyl Verdazyl Radical as a Testcase

Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

scientific article

Hydrogen evolution in [NiFe] hydrogenases and related biomimetic systems: similarities and differences.

scientific article published on 22 August 2016

Isolation of a Homoleptic Non-Oxo Mo(V) Alkoxide Complex: Synthesis, Structure and Electronic Properties of Penta-tert-Butoxymolybdenum

scientific article published on 26 August 2020

Mononuclear Manganese(III) Superoxo Complexes: Synthesis, Characterization, and Reactivity

scientific article published on 22 July 2019

Palladium-catalysed electrophilic aromatic C–H fluorination

scientific article published in Nature

Spectroscopic and Quantum Chemical Investigation of Benzene-1,2-dithiolate-Coordinated Diiron Complexes with Relevance to Dinitrogen Activation

scientific article published on 25 March 2019

Spectroscopic and Quantum Chemical Study of the Ni(PPh2NC6H4CH2P(O)(OEt)22)2 Electrocatalyst for Hydrogen Production with Emphasis on the NiI Oxidation State

Structural and spectroscopic investigation of an anilinosalen cobalt complex with relevance to hydrogen production

scientific article published on 22 November 2013

Theoretical Spectroscopy of the NiIIIntermediate States in the Catalytic Cycle and the Activation of [NiFe] Hydrogenases

scientific article published in 2013

Where Is the Fluoro Wall?: A Quantum Chemical Investigation

scientific article published on 07 January 2020

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