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A multifaceted approach to hydrogen storage.
Churchard AJ, Banach E, Borgschulte A, Caputo R, Chen JC, Clary D, Fijalkowski KJ, Geerlings H, Genova RV, Grochala W, Jaroń T, Juanes-Marcos JC, Kasemo B, Kroes GJ, Ljubić I, Naujoks N, Nørskov JK, Olsen RA, Pendolino F, Remhof A, Románszki L, Tekin A, Vegge T, Zäch M, Züttel A. Churchard AJ, et al. Among authors: tekin a. Phys Chem Chem Phys. 2011 Oct 14;13(38):16955-72. doi: 10.1039/c1cp22312g. Epub 2011 Sep 1. Phys Chem Chem Phys. 2011. PMID: 21887432
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: tekin a. J Chem Phys. 2009 Jul 7;131(1):014101. doi: 10.1063/1.3148892. J Chem Phys. 2009. PMID: 19586090 Free article.
First principles potential for the cytosine dimer.
Manukyan A, Tekin A. Manukyan A, et al. Among authors: tekin a. Phys Chem Chem Phys. 2015 Jun 14;17(22):14685-701. doi: 10.1039/c5cp00553a. Epub 2015 May 14. Phys Chem Chem Phys. 2015. PMID: 25971940
542 results