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SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces

Journal of chemical theory and computation, 2023-01, Vol.19 (1), p.245-270

2023

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Oxidation and Photo-Oxidation of Water on TiO2 Surface

Journal of physical chemistry. C, 2008-07, Vol.112 (26), p.9872-9879

2008

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Electronic friction dominates hydrogen hot-atom relaxation on Pd(100)

Physical review letters, 2014-03, Vol.112 (10), p.103203-103203, Article 103203

2014

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The effect of the exchange-correlation functional on H2 dissociation on Ru(0001)

The Journal of chemical physics, 2014-02, Vol.140 (8), p.084702-084702

2014

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First principles study of the photo-oxidation of water on tungsten trioxide (WO3)

The Journal of chemical physics, 2009-03, Vol.130 (11), p.114701-114701

2009

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Cluster Study of the Photo-Oxidation of Water on Rutile Titanium Dioxide (TiO2)

Journal of physical chemistry. C, 2010-01, Vol.114 (3), p.1701-1708

2010

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Comparison of methods for finding saddle points without knowledge of the final states

The Journal of chemical physics, 2004-11, Vol.121 (20), p.9776-9792

2004

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An ab initio molecular dynamics study of D2 dissociation on CO-precovered Ru(0001)

Physical chemistry chemical physics : PCCP, 2016-08, Vol.18 (31), p.2119-2121

2016

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Quantum dynamics of dissociative chemisorption of CH4 on Ni(111): Influence of the bending vibration

The Journal of chemical physics, 2010-10, Vol.133 (14)

2010

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Molecular dynamics simulations of the ice temperature dependence of water ice photodesorption

The Journal of chemical physics, 2010-05, Vol.132 (18)

2010

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Molecular Dynamics Simulations of CO2 Formation in Interstellar Ices

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-08, Vol.117 (32), p.7064-7074

2013

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Impact analysis of drought, water excess and salinity on grass production in The Netherlands using historical and future climate data

Agriculture, ecosystems & environment, 2011-11, Vol.144 (1), p.370-381

2011

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Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations

The journal of physical chemistry. B, 2006-09, Vol.110 (36), p.17719-17735

2006

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Hydrogen dissociation on small aluminum clusters

The Journal of chemical physics, 2010-11, Vol.133 (18), p.184304-184304-12

2010

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Exploring surface landscapes with molecules: rotationally induced diffraction of H2 on LiF(001) under fast grazing incidence conditions

Physical chemistry chemical physics : PCCP, 2017-06, Vol.19 (25), p.16317-16322

2017

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Isotope effects on the photodesorption processes of X2O (X = H,D) and HOD ice

The Journal of chemical physics, 2013-03, Vol.138 (10), p.104701-104701

2013

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Electrolysis of water on oxide surfaces

Journal of electroanalytical chemistry (Lausanne, Switzerland), 2007-09, Vol.607 (1), p.83-89

2007

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Distributed ecohydrological modelling to evaluate the performance of irrigation system in Sirsa district, India: I. Current water management and its productivity

Journal of hydrology (Amsterdam), 2006-10, Vol.329 (3), p.692-713

2006

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Toward a Specific Reaction Parameter Density Functional for H 2 + Ni(111): Comparison of Theory with Molecular Beam Sticking Experiments

Journal of physical chemistry. C, 2019-08, Vol.123 (33), p.20420-20433

2019

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CHD3 dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional

The Journal of chemical physics, 2018-07, Vol.149 (4), p.044701-044701

2018

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Molecular dynamics simulations of D2O ice photodesorption

The Journal of chemical physics, 2011-04, Vol.134 (16), p.164503-164503

2011

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Possible effect of static surface disorder on diffractive scattering of H 2 from Ru(0001): Comparison between theory and experiment

The Journal of chemical physics, 2017-12, Vol.147 (24), p.244705

2017

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Possible effect of static surface disorder on diffractive scattering of H2 from Ru(0001): Comparison between theory and experiment

The Journal of chemical physics, 2017-12, Vol.147 (24), p.244705-244705

2017

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Adsorption of CO on amorphous water-ice surfaces

Astronomy and astrophysics (Berlin), 2004-08, Vol.422 (3), p.777-791

2004

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Application of the modified Shepard interpolation method to the determination of the potential energy surface for a molecule-surface reaction: H2 + Pt(111)

The Journal of chemical physics, 2004-02, Vol.120 (5), p.2392-2404

2004

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SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces

Oxidation and Photo-Oxidation of Water on TiO2 Surface

Electronic friction dominates hydrogen hot-atom relaxation on Pd(100)

The effect of the exchange-correlation functional on H2 dissociation on Ru(0001)

First principles study of the photo-oxidation of water on tungsten trioxide (WO3)

Cluster Study of the Photo-Oxidation of Water on Rutile Titanium Dioxide (TiO2)

Comparison of methods for finding saddle points without knowledge of the final states

An ab initio molecular dynamics study of D2 dissociation on CO-precovered Ru(0001)

Quantum dynamics of dissociative chemisorption of CH4 on Ni(111): Influence of the bending vibration

Molecular dynamics simulations of the ice temperature dependence of water ice photodesorption

Molecular Dynamics Simulations of CO2 Formation in Interstellar Ices

Impact analysis of drought, water excess and salinity on grass production in The Netherlands using historical and future climate data

Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations

Hydrogen dissociation on small aluminum clusters

Exploring surface landscapes with molecules: rotationally induced diffraction of H2 on LiF(001) under fast grazing incidence conditions

Isotope effects on the photodesorption processes of X2O (X = H,D) and HOD ice

Electrolysis of water on oxide surfaces

Distributed ecohydrological modelling to evaluate the performance of irrigation system in Sirsa district, India: I. Current water management and its productivity

Toward a Specific Reaction Parameter Density Functional for H 2 + Ni(111): Comparison of Theory with Molecular Beam Sticking Experiments

CHD3 dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional

Molecular dynamics simulations of D2O ice photodesorption

Possible effect of static surface disorder on diffractive scattering of H 2 from Ru(0001): Comparison between theory and experiment

Possible effect of static surface disorder on diffractive scattering of H2 from Ru(0001): Comparison between theory and experiment

Adsorption of CO on amorphous water-ice surfaces

Application of the modified Shepard interpolation method to the determination of the potential energy surface for a molecule-surface reaction: H2 + Pt(111)

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