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GPAW: An open Python package for electronic structure calculations.
Mortensen JJ, Larsen AH, Kuisma M, Ivanov AV, Taghizadeh A, Peterson A, Haldar A, Dohn AO, Schäfer C, Jónsson EÖ, Hermes ED, Nilsson FA, Kastlunger G, Levi G, Jónsson H, Häkkinen H, Fojt J, Kangsabanik J, Sødequist J, Lehtomäki J, Heske J, Enkovaara J, Winther KT, Dulak M, Melander MM, Ovesen M, Louhivuori M, Walter M, Gjerding M, Lopez-Acevedo O, Erhart P, Warmbier R, Würdemann R, Kaappa S, Latini S, Boland TM, Bligaard T, Skovhus T, Susi T, Maxson T, Rossi T, Chen X, Schmerwitz YLA, Schiøtz J, Olsen T, Jacobsen KW, Thygesen KS. Mortensen JJ, et al. Among authors: kaappa s. J Chem Phys. 2024 Mar 7;160(9):092503. doi: 10.1063/5.0182685. J Chem Phys. 2024. PMID: 38450733
Robust, Highly Luminescent Au13 Superatoms Protected by N-Heterocyclic Carbenes.
Narouz MR, Takano S, Lummis PA, Levchenko TI, Nazemi A, Kaappa S, Malola S, Yousefalizadeh G, Calhoun LA, Stamplecoskie KG, Häkkinen H, Tsukuda T, Crudden CM. Narouz MR, et al. Among authors: kaappa s. J Am Chem Soc. 2019 Sep 25;141(38):14997-15002. doi: 10.1021/jacs.9b07854. Epub 2019 Sep 12. J Am Chem Soc. 2019. PMID: 31497943
N-heterocyclic carbene-functionalized magic-number gold nanoclusters.
Narouz MR, Osten KM, Unsworth PJ, Man RWY, Salorinne K, Takano S, Tomihara R, Kaappa S, Malola S, Dinh CT, Padmos JD, Ayoo K, Garrett PJ, Nambo M, Horton JH, Sargent EH, Häkkinen H, Tsukuda T, Crudden CM. Narouz MR, et al. Among authors: kaappa s. Nat Chem. 2019 May;11(5):419-425. doi: 10.1038/s41557-019-0246-5. Epub 2019 Apr 15. Nat Chem. 2019. PMID: 30988416
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