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List of works by Hans Niemantsverdriet

A DFT study of the adsorption and dissociation of CO on Fe(100): influence of surface coverage on the nature of accessible adsorption states

scientific article published on 01 February 2005

A DFT study of the adsorption and dissociation of CO on sulfur-precovered Fe100

scientific article published on 01 July 2006

A density functional theory study on the effect of zero-point energy corrections on the methanation profile on Fe(100)

scientific article published on 14 March 2012

Acetylene decomposition on Rh(100): theory and experiment

scientific article published on 01 May 2006

Activation and Deactivation of Gold/Ceria-Zirconia in the Low-Temperature Water-Gas Shift Reaction.

scientific article published on 16 October 2017

Atom-molecule interactions on transition metal surfaces: a DFT Study of CO and several atoms on Rh(100), Pd(100) and Ir(100)

scientific article published on 01 May 2006

Catalysis for Fuels: general discussion

scientific article published on 01 April 2017

Chemistry of O- and H-containing species on the (001) surface of anatase TiO2: a DFT study

scientific article published on 01 August 2010

Chemistry of ethylene glycol on a Rh(100) single-crystal surface.

scientific article published in January 2009

Consequences of Electron-Density Manipulations on the X-ray Photoelectron Spectroscopic Properties of Ferrocenyl-β-diketonato Complexes of Manganese(III). Structure of [Mn(FcCOCHCOCH3)3].

scientific article published on 17 February 2016

Decomposition of methanol on Au(310)

scientific article published on 01 April 2005

Designing new catalysts for synthetic fuels: general discussion

scientific article published on 01 April 2017

Direct catalytic route to superhydrophobic polyethylene films

scientific article published on 01 September 2006

Direct versus hydrogen-assisted CO dissociation on the Fe (100) surface: a DFT study

scientific article published on 06 December 2011

Early stages of catalyst aging in the iridium mediated water oxidation reaction.

scientific article published on 4 April 2016

Effect of Aldehyde and Carboxyl Functionalities on the Surface Chemistry of Biomass-Derived Molecules

scientific article published on 10 October 2017

First-principles elucidation of the surface chemistry of the C(2)H(x) (x = 0-6) adsorbate series on Fe(100).

scientific article published on 26 March 2013

Highly dispersed platinum in metal organic framework NH2-MIL-101(Al) containing phosphotungstic acid – Characterization and catalytic performance

article

In situ ATR-FTIR studies on MgCl2-diisobutyl phthalate interactions in thin film Ziegler-Natta catalysts

scientific article published on 23 January 2012

In situ surface oxidation study of a planar Co/SiO2/Si(100) model catalyst with nanosized cobalt crystallites under model Fischer-Tropsch synthesis conditions

scientific article published on 01 May 2006

Interaction and reaction of coadsorbed NO and CO on a Rh(100) single crystal surface

scientific article published on 01 November 2010

Interactions between co-adsorbed CO and H on a Rh(100) single crystal surface

scientific article published on 08 September 2009

Light-tuned selective photosynthesis of azo- and azoxy-aromatics using graphitic C3N4.

scientific article published on 4 January 2018

Migration of carbon into subsurface layers of Rh(100): a DFT study

scientific article

Modeling the surface chemistry of biomass model compounds on oxygen-covered Rh(100).

scientific article published on 15 August 2016

Photosystem II Acts as a Spin-Controlled Electron Gate during Oxygen Formation and Evolution.

scientific article published on 24 October 2017

Preparation and characterization of supported bimetallic Pd(IV)-Co(III) model catalyst from organometallic single source precursor for aerobic oxidation of alcohols

scientific article published on 12 November 2012

Properties of Manganese(III) Ferrocenyl-β-Diketonato Complexes Revealed by Charge Transfer and Multiplet Splitting in the Mn 2p and Fe 2p X-Ray Photoelectron Envelopes.

scientific article published on 26 October 2016

Surface potential around potassium promoter atoms on Rh(111) measured with photoemission of adsorbed Xe, Kr, and Ar

scientific article published on 01 May 1994

Testing the pairwise additive potential approximation using DFT: coadsorption of CO and N on Rh (100)

scientific article published on 01 March 2005

The beneficial effect of hydrogen on CO oxidation over Au catalysts. A computational study

scientific article published on 16 November 2011

The effect of C-OH functionality on the surface chemistry of biomass-derived molecules: ethanol chemistry on Rh(100).

scientific article published on 24 October 2016

The influence of carbon on the adsorption of CO on a Rh(100) single crystal

scientific article published on 16 November 2005

The influence of promoters and poisons on carbon monoxide adsorption on Rh(100): a DFT study

scientific article published on 01 July 2005

The outermost atomic layer of thin films of fluorinated polymethacrylates.

scientific article published in July 2004

The surface chemistry of water on Fe(100): a density functional theory study

scientific article published on 01 February 2012

Tricarbonyls of low-coordinated Au(0) atoms in zeolite-supported gold nanoparticles: Evidence from infrared and X-ray absorption spectroscopies

scientific article published on 01 April 2006

Understanding FTS selectivity: the crucial role of surface hydrogen.

scientific article published on 7 February 2017

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