Publications of Karsten Reuter
All genres
Journal Article (347)
2018
Journal Article
116 (21-22), pp. 3409 - 3416 (2018)
Response properties at the dynamic water/dichloroethane liquid–liquid interface. Molecular Physics
Journal Article
122 (2), pp. 770 - 779 (2018)
Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated Hydrocarbons. The Journal of Physical Chemistry B
Journal Article
122 (30), pp. 6343 - 6348 (2018)
Making the Coupled Cluster Correlation Energy Machine-Learnable. The Journal of Physical Chemistry A
Journal Article
122 (8), pp. 4428 - 4436 (2018)
Surface chemistry of 1- and 3-Hexyne on Pt(111): desorption, decomposition and dehydrocyclization. The Journal of Physical Chemistry C
Journal Article
57 (50), pp. 16348 - 16353 (2018)
Strain-Promoted Reactivity of Alkyne-Containing Cycloparaphenylenes. Angewandte Chemie International Edition
Journal Article
130 (50), pp. 1586 - 16591 (2018)
Strain-Promoted Reactivity of Alkyne-Containing Cycloparaphenylenes. Angewandte Chemie
Journal Article
140 (14), pp. 4849 - 4859 (2018)
Lewis–Brønsted Acid Pairs in Ga/H-ZSM-5 To Catalyze Dehydrogenation of Light Alkanes. Journal of the American Chemical Society
Journal Article
12 (11), pp. 11552 - 11560 (2018)
Assembly of Robust Holmium-Directed 2D Metal–Organic Coordination Complexes and Networks on the Ag(100) Surface. ACS Nano
Journal Article
10 (2), pp. 465 - 469 (2018)
First-Principles Computational Screening of Dopants to Improve the Deacon Process over RuO2. ChemCatChem 2017
Journal Article
7 (6), pp. 3960 - 3967 (2017)
Scaling-Relation-Based Analysis of Bifunctional Catalysis: The Case for Homogeneous Bimetallic Alloys. ACS Catalysis
Journal Article
147 (15), 152705 (2017)
Assessment of mean-field microkinetic models for CO methanation on stepped metal surfaces using accelerated kinetic Monte Carlo. The Journal of Chemical Physics
Journal Article
01 (07), 071601 (2017)
Theoretical evidence for unexpected O-rich phases at corners of MgO surfaces. Physical Review Materials
Journal Article
146 (1), 014702 (2017)
Phononic dissipation during “hot” adatom motion: A QM/Me study of O2 dissociation at Pd surfaces. The Journal of Chemical Physics
Journal Article
146 (21), 214701 (2017)
Interpretation of x-ray absorption spectroscopy in the presence of surface hybridization. The Journal of Chemical Physics
Journal Article
19 (8), pp. 5985 - 5993 (2017)
Consecutive reactions of small, free tantalum clusters with dioxygen controlled by relaxation dynamics. Physical Chemistry Chemical Physics
Journal Article
17 (6), pp. 3884 - 3888 (2017)
Implications of Occupational Disorder on Ion Mobility in Li4Ti5O12 Battery Materials. Nano Letters
Journal Article
9 (1), pp. 17 - 29 (2017)
Future Challenges in Heterogeneous Catalysis: Understanding Catalysts under Dynamic Reaction Conditions. ChemCatChem
Journal Article
147 (16), 164106 (2017)
Local-metrics error-based Shepard interpolation as surrogate for highly non-linear material models in high dimensions. The Journal of Chemical Physics
Journal Article
29 (17), 1605637 (2017)
A New Class of Lasing Materials: Intrinsic Stimulated Emission from Nonlinear Optically Active Metal–Organic Frameworks. Advanced Materials
Journal Article
56 (46), pp. 14743 - 14748 (2017)
Multi-Photon Absorption in Metal–Organic Frameworks. Angewandte Chemie International Edition