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Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project

by Hummelshøj, J S, Landis, D D, Voss, J, Jiang, T, Tekin, A, Bork, N, Dułak, M, Mortensen, J J, Adamska, L, Andersin, J, Baran, J D, Barmparis, G D, Bell, F, Bezanilla, A L, Bjork, J, Björketun, M E, Bleken, F, Buchter, F, Bürkle, M, Burton, P D, Buus, B B, Calborean, A, Calle-Vallejo, F, Casolo, S, Chandler, B D, Chi, D H, 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, K D, Hansen, H A, Hibbitts, D, Hobi, Jr, E, Howalt, J G, Hruby, S L, Huth, A, Isaeva, L, Jelic, J, Jensen, I J T, Kacprzak, K A, Kelkkanen, A, Kelsey, D, Kesanakurthi, D S, Kleis, J, Klüpfel, P J, Konstantinov, I, Korytar, R, Koskinen, P, Krishna, C, Kunkes, E, Larsen, A H, Lastra, J M G, Lin, H, Lopez-Acevedo, O, Mantega, M, Martínez, J I, Mesa, I N, Mowbray, D J, Mýrdal, J S G, Natanzon, Y, Nistor, A, Olsen, T, Park, H, Pedroza, L S, Petzold, V, Plaisance, C, Rasmussen, J A, Ren, H, Rizzi, M, Ronco, A S, Rostgaard, C, Saadi, S, Salguero, L A, Santos, E J G, Schoenhalz, A L, Shen, J, Smedemand, M, Stausholm-Møller, O J, Stibius, M, Strange, M, Su, H B, Temel, B, Toftelund, A, Tripkovic, V, Vanin, M, Viswanathan, V, Vojvodic, A
Published in The Journal of chemical physics (07.07.2009)

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