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Page 1
Evolutionary Algorithm-based Crystal Structure Prediction for Gold(I) Fluoride.
Chemphyschem. 2020 Apr 20;21(8):802-808. doi: 10.1002/cphc.201901070. Epub 2020 Mar 5.
Chemphyschem. 2020.
PMID: 31919990
Effect of the Dopant Configuration on the Electronic Transport Properties of Nitrogen-Doped Carbon Nanotubes.
Eklund K, Karttunen AJ.
Eklund K, et al.
Nanomaterials (Basel). 2022 Jan 7;12(2):199. doi: 10.3390/nano12020199.
Nanomaterials (Basel). 2022.
PMID: 35055218
Free PMC article.
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Syntheses and Characterization of the Mixed-Valent Manganese(II/III) Fluorides Mn2F5 and Mn3F8.
Bandemehr J, Zimmerhofer F, Ivlev SI, Pietzonka C, Eklund K, Karttunen AJ, Huppertz H, Kraus F.
Bandemehr J, et al. Among authors: eklund k.
Inorg Chem. 2021 Sep 6;60(17):12651-12663. doi: 10.1021/acs.inorgchem.1c01833. Epub 2021 Aug 25.
Inorg Chem. 2021.
PMID: 34431300
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Structural Properties and Magnetic Ground States of 100 Binary d-Metal Oxides Studied by Hybrid Density Functional Methods.
Kuklin MS, Eklund K, Linnera J, Ropponen A, Tolvanen N, Karttunen AJ.
Kuklin MS, et al. Among authors: eklund k.
Molecules. 2022 Jan 27;27(3):874. doi: 10.3390/molecules27030874.
Molecules. 2022.
PMID: 35164135
Free PMC article.
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Bromine Pentafluoride BrF5 , the Formation of [BrF6 ]- Salts, and the Stereochemical (In)activity of the Bromine Lone Pairs.
Möbs M, Graubner T, Eklund K, Karttunen AJ, Kraus F.
Möbs M, et al. Among authors: eklund k.
Chemistry. 2022 Dec 27;28(72):e202202466. doi: 10.1002/chem.202202466. Epub 2022 Oct 31.
Chemistry. 2022.
PMID: 36106827
Free PMC article.
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