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Surface-Mediated Ring-Opening and Porphyrin Deconstruction via Conformational Distortion.
J Am Chem Soc. 2021 Sep 22;143(37):15131-15138. doi: 10.1021/jacs.1c05348. Epub 2021 Sep 2.
J Am Chem Soc. 2021.
PMID: 34472340
Efficient simulation of near-edge x-ray absorption fine structure (NEXAFS) in density-functional theory: Comparison of core-level constraining approaches.
Michelitsch GS, Reuter K.
Michelitsch GS, et al.
J Chem Phys. 2019 Feb 21;150(7):074104. doi: 10.1063/1.5083618.
J Chem Phys. 2019.
PMID: 30795654
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Assembly of Robust Holmium-Directed 2D Metal-Organic Coordination Complexes and Networks on the Ag(100) Surface.
Uphoff M, Michelitsch GS, Hellwig R, Reuter K, Brune H, Klappenberger F, Barth JV.
Uphoff M, et al. Among authors: michelitsch gs.
ACS Nano. 2018 Nov 27;12(11):11552-11560. doi: 10.1021/acsnano.8b06704. Epub 2018 Oct 15.
ACS Nano. 2018.
PMID: 30296056
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Communication: Charge-population based dispersion interactions for molecules and materials.
Stöhr M, Michelitsch GS, Tully JC, Reuter K, Maurer RJ.
Stöhr M, et al. Among authors: michelitsch gs.
J Chem Phys. 2016 Apr 21;144(15):151101. doi: 10.1063/1.4947214.
J Chem Phys. 2016.
PMID: 27389199
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Remote functionalization in surface-assisted dehalogenation by conformational mechanics: organometallic self-assembly of 3,3',5,5'-tetrabromo-2,2',4,4',6,6'-hexafluorobiphenyl on Ag(111).
Lischka M , Michelitsch GS , Martsinovich N , Eichhorn J , Rastgoo-Lahrood A , Strunskus T , Breuer R , Reuter K , Schmittel M , Lackinger M .
Lischka M , et al. Among authors: michelitsch gs.
Nanoscale. 2018 Jul 5;10(25):12035-12044. doi: 10.1039/c8nr01987h.
Nanoscale. 2018.
PMID: 29905751
Free article.
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Core Electron Binding Energies in Solids from Periodic All-Electron Δ-Self-Consistent-Field Calculations.
Kahk JM, Michelitsch GS, Maurer RJ, Reuter K, Lischner J.
Kahk JM, et al. Among authors: michelitsch gs.
J Phys Chem Lett. 2021 Sep 30;12(38):9353-9359. doi: 10.1021/acs.jpclett.1c02380. Epub 2021 Sep 22.
J Phys Chem Lett. 2021.
PMID: 34549969
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Spin Manipulation by Creation of Single-Molecule Radical Cations.
Karan S, Li N, Zhang Y, He Y, Hong IP, Song H, Lü JT, Wang Y, Peng L, Wu K, Michelitsch GS, Maurer RJ, Diller K, Reuter K, Weismann A, Berndt R.
Karan S, et al. Among authors: michelitsch gs.
Phys Rev Lett. 2016 Jan 15;116(2):027201. doi: 10.1103/PhysRevLett.116.027201. Epub 2016 Jan 15.
Phys Rev Lett. 2016.
PMID: 26824562
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