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Continuum models of the electrochemical diffuse layer in electronic-structure calculations

The Journal of chemical physics, 2019-01, Vol.150 (4), p.041722-041722

2019

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An In Situ Surface-Enhanced Infrared Absorption Spectroscopy Study of Electrochemical CO2 Reduction: Selectivity Dependence on Surface C‑Bound and O‑Bound Reaction Intermediates

Journal of physical chemistry. C, 2019-03, Vol.123 (10), p.5951-5963

2019

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Dissociative chemisorption of methane on metal surfaces: tests of dynamical assumptions using quantum models and ab initio molecular dynamics

The Journal of chemical physics, 2014-08, Vol.141 (5), p.054102-054102

2014

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Methane dissociation on Pt(111): Searching for a specific reaction parameter density functional

The Journal of chemical physics, 2016-01, Vol.144 (4), p.044702-044702

2016

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HOD on Ni(111): Ab Initio molecular dynamics prediction of molecular beam experiments

The Journal of chemical physics, 2018-12, Vol.149 (24), p.244706-244706

2018

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Surface Reaction Barriometry: Methane Dissociation on Flat and Stepped Transition-Metal Surfaces

The journal of physical chemistry letters, 2017-09, Vol.8 (17), p.4177-4182

2017

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Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (45), p.354-355

2017

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Modeling surface motion effects in N2 dissociation on W(110): Ab initio molecular dynamics calculations and generalized Langevin oscillator model

The Journal of chemical physics, 2016-06, Vol.144 (24), p.244708-244708

2016

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Application of van der Waals functionals to the calculation of dissociative adsorption of N2 on W(110) for static and dynamic systems

The Journal of chemical physics, 2016-02, Vol.144 (8), p.084702-084702

2016

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Role of OH Intermediates during the Au Oxide Electro-Reduction at Low pH Elucidated by Electrochemical Surface-Enhanced Raman Spectroscopy and Implicit Solvent Density Functional Theory

ACS catalysis, 2020-11, Vol.10 (21), p.12716-12726

2020

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Niche separation of wetland birds revealed from airborne laser scanning

Ecography (Copenhagen), 2021-06, Vol.44 (6), p.907-918

2021

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Dissociation and recombination of D₂ on Cu(111): ab initio molecular dynamics calculations and improved analysis of desorption experiments

The Journal of chemical physics, 2014-09, Vol.141 (12), p.124705-124705

2014

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Operando XANES from first-principles and its application to iridium oxide

Physical chemistry chemical physics : PCCP, 2020-05, Vol.22 (19), p.10807-10818

2020

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Country-wide data of ecosystem structure from the third Dutch airborne laser scanning survey

Data in brief, 2023-02, Vol.46, p.108798-108798, Article 108798

2023

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XANES from first-principles and its application to iridium oxide

Physical chemistry chemical physics : PCCP, 2020-05, Vol.22 (19), p.187-1818

2020

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Solvent-Aware Interfaces in Continuum Solvation

Journal of chemical theory and computation, 2019-03, Vol.15 (3), p.1996-2009

2019

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The effect of the perturber population on subhalo measurements in strong gravitational lenses

Monthly notices of the Royal Astronomical Society, 2024-01, Vol.527 (1), p.66-78

2024

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Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter of D 2 Reacting on Cu(111)

Physical review letters, 2012-06, Vol.108 (23), Article 236104

2012

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N2 dissociation on W(110): An ab initio molecular dynamics study on the effect of phonons

The Journal of chemical physics, 2015-03, Vol.142 (10), p.104702-104702

2015

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Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction

The journal of physical chemistry letters, 2016-07, Vol.7 (13), p.2402-2406

2016

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Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations

Journal of chemical theory and computation, 2019-11, Vol.15 (11), p.6313-6322

2019

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Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction

The journal of physical chemistry letters, 2014-04, Vol.5 (8), p.1294-1299

2014

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Laserfarm – A high-throughput workflow for generating geospatial data products of ecosystem structure from airborne laser scanning point clouds

Ecological informatics, 2022-12, Vol.72, p.101836, Article 101836

2022

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An In Situ Surface-Enhanced Infrared Absorption Spectroscopy Study of Electrochemical CO 2 Reduction: Selectivity Dependence on Surface C-Bound and O-Bound Reaction Intermediates

Journal of physical chemistry. C, 2019-03, Vol.123 (10), p.5951-5963

2019

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Better together? Assessing different remote sensing products for predicting habitat suitability of wetland birds

Diversity & distributions, 2022-04, Vol.28 (4), p.685-699

2022

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Continuum models of the electrochemical diffuse layer in electronic-structure calculations

An In Situ Surface-Enhanced Infrared Absorption Spectroscopy Study of Electrochemical CO2 Reduction: Selectivity Dependence on Surface C‑Bound and O‑Bound Reaction Intermediates

Dissociative chemisorption of methane on metal surfaces: tests of dynamical assumptions using quantum models and ab initio molecular dynamics

Methane dissociation on Pt(111): Searching for a specific reaction parameter density functional

HOD on Ni(111): Ab Initio molecular dynamics prediction of molecular beam experiments

Surface Reaction Barriometry: Methane Dissociation on Flat and Stepped Transition-Metal Surfaces

Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface

Modeling surface motion effects in N2 dissociation on W(110): Ab initio molecular dynamics calculations and generalized Langevin oscillator model

Application of van der Waals functionals to the calculation of dissociative adsorption of N2 on W(110) for static and dynamic systems

Role of OH Intermediates during the Au Oxide Electro-Reduction at Low pH Elucidated by Electrochemical Surface-Enhanced Raman Spectroscopy and Implicit Solvent Density Functional Theory

Niche separation of wetland birds revealed from airborne laser scanning

Dissociation and recombination of D₂ on Cu(111): ab initio molecular dynamics calculations and improved analysis of desorption experiments

Operando XANES from first-principles and its application to iridium oxide

Country-wide data of ecosystem structure from the third Dutch airborne laser scanning survey

XANES from first-principles and its application to iridium oxide

Solvent-Aware Interfaces in Continuum Solvation

The effect of the perturber population on subhalo measurements in strong gravitational lenses

Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter of D 2 Reacting on Cu(111)

N2 dissociation on W(110): An ab initio molecular dynamics study on the effect of phonons

Chemically Accurate Simulation of a Polyatomic Molecule-Metal Surface Reaction

Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations

Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas–Surface Reaction

Laserfarm – A high-throughput workflow for generating geospatial data products of ecosystem structure from airborne laser scanning point clouds

An In Situ Surface-Enhanced Infrared Absorption Spectroscopy Study of Electrochemical CO 2 Reduction: Selectivity Dependence on Surface C-Bound and O-Bound Reaction Intermediates

Better together? Assessing different remote sensing products for predicting habitat suitability of wetland birds

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