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Page 1
Reproducibility in density functional theory calculations of solids.
Lejaeghere K, Bihlmayer G, Björkman T, Blaha P, Blügel S, Blum V, Caliste D, Castelli IE, Clark SJ, Dal Corso A, de Gironcoli S, Deutsch T, Dewhurst JK, Di Marco I, Draxl C, Dułak M, Eriksson O, Flores-Livas JA, Garrity KF, Genovese L, Giannozzi P, Giantomassi M, Goedecker S, Gonze X, Grånäs O, Gross EK, Gulans A, Gygi F, Hamann DR, Hasnip PJ, Holzwarth NA, Iuşan D, Jochym DB, Jollet F, Jones D, Kresse G, Koepernik K, Küçükbenli E, Kvashnin YO, Locht IL, Lubeck S, Marsman M, Marzari N, Nitzsche U, Nordström L, Ozaki T, Paulatto L, Pickard CJ, Poelmans W, Probert MI, Refson K, Richter M, Rignanese GM, Saha S, Scheffler M, Schlipf M, Schwarz K, Sharma S, Tavazza F, Thunström P, Tkatchenko A, Torrent M, Vanderbilt D, van Setten MJ, Van Speybroeck V, Wills JM, Yates JR, Zhang GX, Cottenier S. Lejaeghere K, et al. Among authors: kvashnin yo. Science. 2016 Mar 25;351(6280):aad3000. doi: 10.1126/science.aad3000. Science. 2016. PMID: 27013736 Free article.
Dibenzo[f,h]furazano[3,4-b]quinoxalines: Synthesis by Intramolecular Cyclization through Direct Transition Metal-Free C-H Functionalization and Electrochemical, Photophysical, and Charge Mobility Characterization.
Kvashnin YA, Verbitskiy EV, Eltsov OS, Slepukhin PA, Tameev AR, Nekrasova NV, Rusinov GL, Nunzi JM, Chupakhin ON, Charushin VN. Kvashnin YA, et al. ACS Omega. 2020 Mar 30;5(14):8200-8210. doi: 10.1021/acsomega.0c00479. eCollection 2020 Apr 14. ACS Omega. 2020. PMID: 32309730 Free PMC article.
Direct light-induced spin transfer between different elements in a spintronic Heusler material via femtosecond laser excitation.
Tengdin P, Gentry C, Blonsky A, Zusin D, Gerrity M, Hellbrück L, Hofherr M, Shaw J, Kvashnin Y, Delczeg-Czirjak EK, Arora M, Nembach H, Silva TJ, Mathias S, Aeschlimann M, Kapteyn HC, Thonig D, Koumpouras K, Eriksson O, Murnane MM. Tengdin P, et al. Among authors: kvashnin y. Sci Adv. 2020 Jan 17;6(3):eaaz1100. doi: 10.1126/sciadv.aaz1100. eCollection 2020 Jan. Sci Adv. 2020. PMID: 32010777 Free PMC article.
Polar Order and Frustrated Antiferromagnetism in Perovskite Pb2MnWO6 Single Crystals.
Ivanov SA, Bush AA, Stash AI, Kamentsev KE, Shkuratov VY, Kvashnin YO, Autieri C, Di Marco I, Sanyal B, Eriksson O, Nordblad P, Mathieu R. Ivanov SA, et al. Among authors: kvashnin yo. Inorg Chem. 2016 Mar 21;55(6):2791-805. doi: 10.1021/acs.inorgchem.5b02577. Epub 2016 Mar 8. Inorg Chem. 2016. PMID: 26954581
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