Krause L - Search Results

1

Investigating Complex Magnetic Anisotropy in a Co(II) Molecular Compound: A Charge Density and Correlated Ab Initio Electronic Structure Study.

Damgaard-Møller E, Krause L, Lassen H, Malaspina LA, Grabowsky S, Bamberger H, McGuire J, Miras HN, Sproules S, Overgaard J. Damgaard-Møller E, et al. Among authors: krause l. Inorg Chem. 2020 Sep 21;59(18):13190-13200. doi: 10.1021/acs.inorgchem.0c01489. Epub 2020 Sep 1. Inorg Chem. 2020. PMID: 32869986 Free article.

2

Accurate high-resolution single-crystal diffraction data from a Pilatus3 X CdTe detector.

Krause L, Tolborg K, Grønbech TBE, Sugimoto K, Iversen BB, Overgaard J. Krause L, et al. J Appl Crystallogr. 2020 Apr 23;53(Pt 3):635-649. doi: 10.1107/S1600576720003775. eCollection 2020 Jun 1. J Appl Crystallogr. 2020. PMID: 32684879 Free PMC article.

3

Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density.

Damgaard-Møller E, Krause L, Tolborg K, Macetti G, Genoni A, Overgaard J. Damgaard-Møller E, et al. Among authors: krause l. Angew Chem Int Ed Engl. 2020 Nov 16;59(47):21203-21209. doi: 10.1002/anie.202007856. Epub 2020 Sep 16. Angew Chem Int Ed Engl. 2020. PMID: 33463025

4

Quantifying magnetic anisotropy using X-ray and neutron diffraction.

Klahn EA, Damgaard-Møller E, Krause L, Kibalin I, Gukasov A, Tripathi S, Swain A, Shanmugam M, Overgaard J. Klahn EA, et al. Among authors: krause l. IUCrJ. 2021 Sep 1;8(Pt 5):833-841. doi: 10.1107/S2052252521008290. eCollection 2021 Sep 1. IUCrJ. 2021. PMID: 34584744 Free PMC article.

5

Validation of experimental charge-density refinement strategies: when do we overfit?

Krause L, Niepötter B, Schürmann CJ, Stalke D, Herbst-Irmer R. Krause L, et al. IUCrJ. 2017 May 24;4(Pt 4):420-430. doi: 10.1107/S2052252517005103. eCollection 2017 Jul 1. IUCrJ. 2017. PMID: 28875029 Free PMC article.

6

Comparison of different strategies for modelling hydrogen atoms in charge density analyses.

Köhler C, Lübben J, Krause L, Hoffmann C, Herbst-Irmer R, Stalke D. Köhler C, et al. Among authors: krause l. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2019 Jun 1;75(Pt 3):434-441. doi: 10.1107/S2052520619004517. Epub 2019 May 24. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2019. PMID: 32830665

7

Mixed valence η6-arene cobalt(I) and cobalt(II) compound.

Azhakar R, Ghadwal RS, Roesky HW, Hey J, Krause L, Stalke D. Azhakar R, et al. Among authors: krause l. Dalton Trans. 2013 Jul 28;42(28):10277-81. doi: 10.1039/c3dt50939g. Dalton Trans. 2013. PMID: 23732516

8

First-order antiferromagnetic transitions of SrMn₂P₂ and CaMn₂P₂ single crystals containing corrugated-honeycomb Mn sublattices.

Sangeetha NS, Pakhira S, Ding QP, Krause L, Lee HC, Smetana V, Mudring AV, Iversen BB, Furukawa Y, Johnston DC. Sangeetha NS, et al. Among authors: krause l. Proc Natl Acad Sci U S A. 2021 Nov 2;118(44):e2108724118. doi: 10.1073/pnas.2108724118. Proc Natl Acad Sci U S A. 2021. PMID: 34711680 Free PMC article.

9

Synchrotron X-ray Electron Density Analysis of Chemical Bonding in the Graphitic Carbon Nitride Precursor Melamine.

Vosegaard ES, Thomsen MK, Krause L, Grønbech TBE, Mamakhel A, Takahashi S, Nishibori E, Iversen BB. Vosegaard ES, et al. Among authors: krause l. Chemistry. 2022 Sep 27;28(54):e202201295. doi: 10.1002/chem.202201295. Epub 2022 Aug 3. Chemistry. 2022. PMID: 35760733 Free PMC article.

10

Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination.

Krause L, Herbst-Irmer R, Sheldrick GM, Stalke D. Krause L, et al. J Appl Crystallogr. 2015 Jan 30;48(Pt 1):3-10. doi: 10.1107/S1600576714022985. eCollection 2015 Feb 1. J Appl Crystallogr. 2015. PMID: 26089746 Free PMC article.

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