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A Cu/Pt near-surface alloy for water-gas shift catalysis.
Knudsen J, Nilekar AU, Vang RT, Schnadt J, Kunkes EL, Dumesic JA, Mavrikakis M, Besenbacher F. Knudsen J, et al. Among authors: kunkes el. J Am Chem Soc. 2007 May 23;129(20):6485-90. doi: 10.1021/ja0700855. Epub 2007 May 1. J Am Chem Soc. 2007. PMID: 17469820
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, Jacobsen KW… See abstract for full author list ➔ Hummelshøj JS, et al. J Chem Phys. 2009 Jul 7;131(1):014101. doi: 10.1063/1.3148892. J Chem Phys. 2009. PMID: 19586090 Free article.
Accelerating the Crystallization of Zeolite SSZ-13 with Polyamines.
Dai H, Claret J, Kunkes EL, Vattipalli V, Linares N, Huang C, Fiji M, García-Martinez J, Moini A, Rimer JD. Dai H, et al. Among authors: kunkes el. Angew Chem Int Ed Engl. 2022 Apr 11;61(16):e202117742. doi: 10.1002/anie.202117742. Epub 2022 Feb 23. Angew Chem Int Ed Engl. 2022. PMID: 35138688