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Geert-Jan Kroes

8PUBLICATIONS
6CO-AUTHORS
Theoretical quantum chemistryCatalysis and mechanisms of reactionsComputational chemistryRadiation and matter
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Publications (8)

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|Dec 15, 2020
Quantum Monte Carlo calculations on dissociative chemisorption of H<sub>2</sub> + Al(110): Minimum barrier heights and their comparison to DFT values.

Andrew D Powell, Geert-Jan Kroes, Katharina Doblhoff-Dier

|Apr 01, 2019
Transferability of the SRP32-vdW specific reaction parameter functional to CHD<sub>3</sub> dissociation on Pt(110)-(2 × 1).

Helen Chadwick, Ana Gutiérrez-González, Rainer D Beck

|Jan 17, 2019
An AIMD study of dissociative chemisorption of methanol on Cu(111) with implications for formaldehyde formation.

Nick Gerrits, Geert-Jan Kroes

|Jan 03, 2019
HOD on Ni(111): <i>Ab Initio</i> molecular dynamics prediction of molecular beam experiments.

Davide Migliorini, Francesco Nattino, Ashwani K Tiwari

|Dec 17, 2018
Dissociation of CHD<sub>3</sub> on Cu(111), Cu(211), and single atom alloys of Cu(111).

Nick Gerrits, Davide Migliorini, Geert-Jan Kroes

|Sep 10, 2018
Methane on a stepped surface: Dynamical insights on the dissociation of CHD<sub>3</sub> on Pt(111) and Pt(211).

Davide Migliorini, Helen Chadwick, Geert-Jan Kroes

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Frequent Collaborators

3 joint publications

Helen Chadwick

2 joint publications

Nick Gerrits

1 joint publications

J R Manson

1 joint publications

Ashwani K Tiwari

1 joint publications

Rainer D Beck

1 joint publications

Katharina Doblhoff-Dier

Frequent Collaborators

3 joint publications

Helen Chadwick

2 joint publications

Nick Gerrits

1 joint publications

J R Manson

1 joint publications

Ashwani K Tiwari

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