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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
Evolutionary Algorithm-Based Crystal Structure Prediction of CuxZnyOz Ternary Oxides.
Kuklin MS, Karttunen AJ.
Kuklin MS, et al.
Molecules. 2023 Aug 10;28(16):5986. doi: 10.3390/molecules28165986.
Molecules. 2023.
PMID: 37630237
Free PMC article.
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Electronic band structures of pristine and chemically modified cellulose allomorphs.
Srivastava D, Kuklin MS, Ahopelto J, Karttunen AJ.
Srivastava D, et al. Among authors: kuklin ms.
Carbohydr Polym. 2020 Sep 1;243:116440. doi: 10.1016/j.carbpol.2020.116440. Epub 2020 May 18.
Carbohydr Polym. 2020.
PMID: 32532390
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Evolutionary Algorithm-Based Crystal Structure Prediction for Copper(I) Fluoride.
Kuklin MS, Maschio L, Usvyat D, Kraus F, Karttunen AJ.
Kuklin MS, et al.
Chemistry. 2019 Sep 2;25(49):11528-11537. doi: 10.1002/chem.201902314. Epub 2019 Aug 5.
Chemistry. 2019.
PMID: 31290174
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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.
Molecules. 2022 Jan 27;27(3):874. doi: 10.3390/molecules27030874.
Molecules. 2022.
PMID: 35164135
Free PMC article.
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Crystal Structure Prediction of Magnetic Transition-Metal Oxides by Using Evolutionary Algorithm and Hybrid DFT Methods.
Kuklin MS, Karttunen AJ.
Kuklin MS, et al.
J Phys Chem C Nanomater Interfaces. 2018 Nov 1;122(43):24949-24957. doi: 10.1021/acs.jpcc.8b08238. Epub 2018 Oct 11.
J Phys Chem C Nanomater Interfaces. 2018.
PMID: 30416641
Free PMC article.
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