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An automated nudged elastic band method

The Journal of chemical physics, 2016-09, Vol.145 (9), p.094107-094107

2016

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Ligand-Assisted Carbonyl Bond Activation in Single Diastereomeric Complexes on Platinum

ACS catalysis, 2022-10, Vol.12 (19), p.12186-12194

2022

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Structure and Dynamics of Individual Diastereomeric Complexes on Platinum: Surface Studies Related to Heterogeneous Enantioselective Catalysis

Accounts of chemical research, 2017-05, Vol.50 (5), p.1163-1170

2017

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A Systematic Search for the Adsorption Motif of All Stereoisomers of Propylene Glycol on a Palladium(111) Surface for Fuel Cell Applications

Langmuir, 2023-01, Vol.39 (1), p.119-128

2023

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The most stable adsorption geometries of two chiral modifiers on Pt(111)

Surface science, 2018-10, Vol.676, p.17-22

2018

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Remote Activation of Chemical Bonds in Heterogeneous Catalysis

ACS catalysis, 2014-04, Vol.4 (4), p.1182-1188

2014

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Modeling of H2O, H2O2, and H2O3 formation mechanisms on graphene oxide (GO) surfaces

Carbon (New York), 2021-06, Vol.177, p.252-259

2021

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The atomic simulation environment-a Python library for working with atoms

Journal of physics. Condensed matter, 2017-07, Vol.29 (27), p.273002-273002

2017

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Improving Platinum Catalyst Durability with a Doped Graphene Support

Journal of physical chemistry. C, 2012-05, Vol.116 (19), p.10548-10556

2012

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Combining Evolutionary Algorithms with Clustering toward Rational Global Structure Optimization at the Atomic Scale

Journal of chemical theory and computation, 2017-03, Vol.13 (3), p.1486-1493

2017

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Substrate Tumbling in a Chemisorbed Diastereomeric α‐Ketoester/1‐(1‐Naphthyl)ethylamine Complex

Angewandte Chemie International Edition, 2022-11, Vol.61 (44), p.e202210076-n/a

International ed. in English, 2022

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Single-chiral-catalytic-surface-sites: STM and DFT study of stereodirecting complexes formed between (R)-1-(1-naphthyl)ethylamine and ketopantolactone on Pt(111)

Catalysis science & technology, 2015-01, Vol.5 (2), p.743-753

2015

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Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene

ACS nano, 2016-12, Vol.10 (12), p.10798-10807

2016

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Neural network-based study of structural, chemical and electronic properties of doped MoO3

Journal of materials research, 2021-12, Vol.36 (23), p.4703-4711

2021

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Erratum: “An automated nudged elastic band method” [J. Chem. Phys. 145, 094107 (2016)]

The Journal of chemical physics, 2018-01, Vol.148 (2), p.029903-029903

2018

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Pyridine adsorption and diffusion on Pt(111) investigated with density functional theory

The Journal of chemical physics, 2016-04, Vol.144 (16), p.164112-164112

2016

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Exciting H2 Molecules for Graphene Functionalization

ACS nano, 2018-01, Vol.12 (1), p.513-520

2018

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Exciting H 2 Molecules for Graphene Functionalization

ACS nano, 2018-01, Vol.12 (1), p.513-520

2018

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Relative Abundances of Surface Diastereomeric Complexes Formed by Two Chiral Modifiers That Differ by a Methyl Group

ACS catalysis, 2020-03, Vol.10 (5), p.3034-3041

2020

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Measuring the effectiveness of online preparation videos and questions in the second semester general chemistry laboratory

Chemistry Education Research and Practice, 2021-07, Vol.22 (3), p.616-625

2021

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STM Study of Ketopantolactone/(R)‑1-(1-Naphthyl)ethylamine Complexes on Pt(111): Comparison of Prochiral and Enantiomeric Ratios and Examination of the Contribution of CH···OC Bonding

ACS catalysis, 2017-03, Vol.7 (3), p.1757-1765

2017

Volltextzugriff (PDF)

Substrate Tumbling in a Chemisorbed Diastereomeric α‐Ketoester/1‐(1‐Naphthyl)ethylamine Complex

Angewandte Chemie, 2022-11, Vol.134 (44), p.n/a

2022

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Isolating a Reaction Intermediate in the Hydrogenation of 2,2,2-Trifluoroacetophenone on Pt(111)

Journal of physical chemistry. C, 2015-04, Vol.119 (13), p.7319-7326

2015

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Walking-like diffusion of two-footed asymmetric aromatic adsorbates on Pt(111)

Surface science, 2014-11, Vol.629, p.123-131

2014

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A comparative study of diastereomeric complexes formed by a prochiral substrate and three structurally analogous chiral molecules on Pt(111)

Surface science, 2016-04, Vol.646, p.13-18

2016

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An automated nudged elastic band method

Ligand-Assisted Carbonyl Bond Activation in Single Diastereomeric Complexes on Platinum

Structure and Dynamics of Individual Diastereomeric Complexes on Platinum: Surface Studies Related to Heterogeneous Enantioselective Catalysis

A Systematic Search for the Adsorption Motif of All Stereoisomers of Propylene Glycol on a Palladium(111) Surface for Fuel Cell Applications

The most stable adsorption geometries of two chiral modifiers on Pt(111)

Remote Activation of Chemical Bonds in Heterogeneous Catalysis

Modeling of H2O, H2O2, and H2O3 formation mechanisms on graphene oxide (GO) surfaces

The atomic simulation environment-a Python library for working with atoms

Improving Platinum Catalyst Durability with a Doped Graphene Support

Combining Evolutionary Algorithms with Clustering toward Rational Global Structure Optimization at the Atomic Scale

Substrate Tumbling in a Chemisorbed Diastereomeric α‐Ketoester/1‐(1‐Naphthyl)ethylamine Complex

Single-chiral-catalytic-surface-sites: STM and DFT study of stereodirecting complexes formed between (R)-1-(1-naphthyl)ethylamine and ketopantolactone on Pt(111)

Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene

Neural network-based study of structural, chemical and electronic properties of doped MoO3

Erratum: “An automated nudged elastic band method” [J. Chem. Phys. 145, 094107 (2016)]

Pyridine adsorption and diffusion on Pt(111) investigated with density functional theory

Exciting H2 Molecules for Graphene Functionalization

Exciting H 2 Molecules for Graphene Functionalization

Relative Abundances of Surface Diastereomeric Complexes Formed by Two Chiral Modifiers That Differ by a Methyl Group

Measuring the effectiveness of online preparation videos and questions in the second semester general chemistry laboratory

STM Study of Ketopantolactone/(R)‑1-(1-Naphthyl)ethylamine Complexes on Pt(111): Comparison of Prochiral and Enantiomeric Ratios and Examination of the Contribution of CH···OC Bonding

Substrate Tumbling in a Chemisorbed Diastereomeric α‐Ketoester/1‐(1‐Naphthyl)ethylamine Complex

Isolating a Reaction Intermediate in the Hydrogenation of 2,2,2-Trifluoroacetophenone on Pt(111)

Walking-like diffusion of two-footed asymmetric aromatic adsorbates on Pt(111)

A comparative study of diastereomeric complexes formed by a prochiral substrate and three structurally analogous chiral molecules on Pt(111)

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