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Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project.
Hummelshøj JS, Landis DD, Voss J, Jiang T, Tekin A, Bork N, Dułak M, Mortensen JJ, Adamska L, Andersin J, Baran JD, Barmparis GD, Bell F, Bezanilla AL, Bjork J, Björketun ME, Bleken F, Buchter F, Bürkle M, Burton PD, Buus BB, Calborean A, Calle-Vallejo F, Casolo S, Chandler BD, Chi DH, Czekaj I, Datta S, Datye A, DeLaRiva A, Despoja V, Dobrin S, Engelund M, Ferrighi L, Frondelius P, Fu Q, Fuentes A, Fürst J, García-Fuente A, Gavnholt J, Goeke R, Gudmundsdottir S, Hammond KD, Hansen HA, Hibbitts D, Hobi E Jr, Howalt JG, Hruby SL, Huth A, Isaeva L, Jelic J, Jensen IJ, Kacprzak KA, Kelkkanen A, Kelsey D, Kesanakurthi DS, Kleis J, Klüpfel PJ, Konstantinov I, Korytar R, Koskinen P, Krishna C, Kunkes E, Larsen AH, Lastra JM, Lin H, Lopez-Acevedo O, Mantega M, Martínez JI, Mesa IN, Mowbray DJ, Mýrdal JS, Natanzon Y, Nistor A, Olsen T, Park H, Pedroza LS, Petzold V, Plaisance C, Rasmussen JA, Ren H, Rizzi M, Ronco AS, Rostgaard C, Saadi S, Salguero LA, Santos EJ, Schoenhalz AL, Shen J, Smedemand M, Stausholm-Møller OJ, Stibius M, Strange M, Su HB, Temel B, Toftelund A, Tripkovic V, Vanin M, Viswanathan V, Vojvodic A, Wang S, Wellendorff J, Thygesen KS, Rossmeisl J, Bligaard T, Jaco… See abstract for full author list ➔ Hummelshøj JS, et al. Among authors: mowbray dj. J Chem Phys. 2009 Jul 7;131(1):014101. doi: 10.1063/1.3148892. J Chem Phys. 2009. PMID: 19586090 Free article.
LCAO-TDDFT-k-ω: spectroscopy in the optical limit.
Lyon K, Preciado-Rivas MR, Zamora-Ledezma C, Despoja V, Mowbray DJ. Lyon K, et al. Among authors: mowbray dj. J Phys Condens Matter. 2020 Jul 16;32(41). doi: 10.1088/1361-648X/ab99ea. J Phys Condens Matter. 2020. PMID: 32503015
Impact of the solvent composition on the structural and mechanical properties of customizable electrospun poly(vinylpyrrolidone) fiber mats.
Narváez-Muñoz C, Diaz-Suntaxi DF, Carrión-Matamoros LM, Guerrero VH, Almeida-Naranjo CE, Morales-Flórez V, Debut A, Vizuete K, Mowbray DJ, Zamora-Ledezma C. Narváez-Muñoz C, et al. Among authors: mowbray dj. Phys Chem Chem Phys. 2021 Oct 20;23(40):22923-22935. doi: 10.1039/d1cp03145g. Phys Chem Chem Phys. 2021. PMID: 34617940
43 results