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CH4 combustion cycles at Pd/Al2O3--important role of support and oxygen access.
Phys Chem Chem Phys. 2013 Jul 21;15(27):11368-74. doi: 10.1039/c3cp51085a. Epub 2013 Jun 5.
Phys Chem Chem Phys. 2013.
PMID: 23736223
DFT studies of oxidation routes for Pd9 clusters supported on γ-alumina.
Kacprzak KA, Czekaj I, Mantzaras J.
Kacprzak KA, et al.
Phys Chem Chem Phys. 2012 Aug 7;14(29):10243-7. doi: 10.1039/c2cp40715a. Epub 2012 Jun 21.
Phys Chem Chem Phys. 2012.
PMID: 22722373
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Methane catalytic combustion on Pd9/gamma-Al2O3 with different degrees of Pd oxidation.
Czekaj I, Kacprzak KA, Mantzaras J.
Czekaj I, et al. Among authors: kacprzak ka.
Chimia (Aarau). 2013;67(4):271-4. doi: 10.2533/chimia.2013.271.
Chimia (Aarau). 2013.
PMID: 23967704
Free article.
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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…
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Hummelshøj JS, et al. Among authors: kacprzak ka.
J Chem Phys. 2009 Jul 7;131(1):014101. doi: 10.1063/1.3148892.
J Chem Phys. 2009.
PMID: 19586090
Free article.
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First-principles simulations of hydrogen peroxide formation catalyzed by small neutral gold clusters.
Kacprzak KA, Akola J, Häkkinen H.
Kacprzak KA, et al.
Phys Chem Chem Phys. 2009 Aug 14;11(30):6359-64. doi: 10.1039/b822765a. Epub 2009 May 27.
Phys Chem Chem Phys. 2009.
PMID: 19809667
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A density functional investigation of thiolate-protected bimetal PdAu(24)(SR)(18)(z) clusters: doping the superatom complex.
Kacprzak KA, Lehtovaara L, Akola J, Lopez-Acevedo O, Häkkinen H.
Kacprzak KA, et al.
Phys Chem Chem Phys. 2009 Sep 7;11(33):7123-9. doi: 10.1039/b904491d. Epub 2009 Jun 11.
Phys Chem Chem Phys. 2009.
PMID: 19672520
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Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters.
Lopez-Acevedo O, Kacprzak KA, Akola J, Häkkinen H.
Lopez-Acevedo O, et al. Among authors: kacprzak ka.
Nat Chem. 2010 Apr;2(4):329-34. doi: 10.1038/nchem.589. Epub 2010 Mar 24.
Nat Chem. 2010.
PMID: 21124516
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