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Year | Number of Results |
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2017 | 1 |
2019 | 1 |
2023 | 4 |
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Page 1
Bromination of 2D materials.
Nanotechnology. 2024 Jan 17;35(14). doi: 10.1088/1361-6528/ad1201.
Nanotechnology. 2024.
PMID: 38048605
Caracal: A Versatile Ring Polymer Molecular Dynamics Simulation Package.
Steffen J.
Steffen J.
J Chem Theory Comput. 2023 Aug 22;19(16):5334-5355. doi: 10.1021/acs.jctc.3c00568. Epub 2023 Aug 9.
J Chem Theory Comput. 2023.
PMID: 37555628
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Bromine Adsorption and Thermal Stability on Rh(111): A Combined XPS, LEED and DFT Study.
Freiberger EM, Steffen J, Waleska-Wellnhofer NJ, Harrer A, Hemauer F, Schwaab V, Görling A, Steinrück HP, Papp C.
Freiberger EM, et al. Among authors: steffen j.
Chemphyschem. 2023 Nov 16;24(22):e202300510. doi: 10.1002/cphc.202300510. Epub 2023 Sep 19.
Chemphyschem. 2023.
PMID: 37609858
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Structure Formation in an Ionic Liquid Wetting Layer: A Combined STM, IRAS, DFT and MD Study of [C2 C1 Im][OTf] on Au(111).
Bühlmeyer H, Hauner J, Eschenbacher R, Steffen J, Trzeciak S, Taccardi N, Görling A, Zahn D, Wasserscheid P, Libuda J.
Bühlmeyer H, et al. Among authors: steffen j.
Chemistry. 2023 Aug 15;29(46):e202301328. doi: 10.1002/chem.202301328. Epub 2023 Jul 20.
Chemistry. 2023.
PMID: 37277680
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Comparison of Implicit and Explicit Solvent Approaches in Ab Initio Evaluation of Thermochemistry in Solution: Application in Studying Boron Isotope Fractionation in Water.
Alibakhshi A, Steffen J, Pinilla C, Hartke B.
Alibakhshi A, et al. Among authors: steffen j.
J Phys Chem A. 2023 Mar 23;127(11):2503-2510. doi: 10.1021/acs.jpca.3c00154. Epub 2023 Mar 14.
J Phys Chem A. 2023.
PMID: 36917555
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A new class of reaction path based potential energy surfaces enabling accurate black box chemical rate constant calculations.
Steffen J.
Steffen J.
J Chem Phys. 2019 Apr 21;150(15):154105. doi: 10.1063/1.5092589.
J Chem Phys. 2019.
PMID: 31005095
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Cheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fields.
Steffen J, Hartke B.
Steffen J, et al.
J Chem Phys. 2017 Oct 28;147(16):161701. doi: 10.1063/1.4979712.
J Chem Phys. 2017.
PMID: 28456151
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