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Page 1
A unified view of ligand-protected gold clusters as superatom complexes.
Walter M, Akola J, Lopez-Acevedo O, Jadzinsky PD, Calero G, Ackerson CJ, Whetten RL, Grönbeck H, Häkkinen H. Walter M, et al. Proc Natl Acad Sci U S A. 2008 Jul 8;105(27):9157-62. doi: 10.1073/pnas.0801001105. Epub 2008 Jul 1. Proc Natl Acad Sci U S A. 2008. PMID: 18599443 Free PMC article.
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.
Characterization of iron-carbonyl-protected gold clusters.
Lopez-Acevedo O, Rintala J, Virtanen S, Femoni C, Tiozzo C, Grönbeck H, Pettersson M, Häkkinen H. Lopez-Acevedo O, et al. J Am Chem Soc. 2009 Sep 9;131(35):12573-5. doi: 10.1021/ja905182g. J Am Chem Soc. 2009. PMID: 19681617
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method.
Enkovaara J, Rostgaard C, Mortensen JJ, Chen J, Dułak M, Ferrighi L, Gavnholt J, Glinsvad C, Haikola V, Hansen HA, Kristoffersen HH, Kuisma M, Larsen AH, Lehtovaara L, Ljungberg M, Lopez-Acevedo O, Moses PG, Ojanen J, Olsen T, Petzold V, Romero NA, Stausholm-Møller J, Strange M, Tritsaris GA, Vanin M, Walter M, Hammer B, Häkkinen H, Madsen GK, Nieminen RM, Nørskov JK, Puska M, Rantala TT, Schiøtz J, Thygesen KS, Jacobsen KW. Enkovaara J, et al. J Phys Condens Matter. 2010 Jun 30;22(25):253202. doi: 10.1088/0953-8984/22/25/253202. Epub 2010 Jun 10. J Phys Condens Matter. 2010. PMID: 21393795
GPAW: An open Python package for electronic structure calculations.
Mortensen JJ, Larsen AH, Kuisma M, Ivanov AV, Taghizadeh A, Peterson A, Haldar A, Dohn AO, Schäfer C, Jónsson EÖ, Hermes ED, Nilsson FA, Kastlunger G, Levi G, Jónsson H, Häkkinen H, Fojt J, Kangsabanik J, Sødequist J, Lehtomäki J, Heske J, Enkovaara J, Winther KT, Dulak M, Melander MM, Ovesen M, Louhivuori M, Walter M, Gjerding M, Lopez-Acevedo O, Erhart P, Warmbier R, Würdemann R, Kaappa S, Latini S, Boland TM, Bligaard T, Skovhus T, Susi T, Maxson T, Rossi T, Chen X, Schmerwitz YLA, Schiøtz J, Olsen T, Jacobsen KW, Thygesen KS. Mortensen JJ, et al. Among authors: lopez acevedo o. J Chem Phys. 2024 Mar 7;160(9):092503. doi: 10.1063/5.0182685. J Chem Phys. 2024. PMID: 38450733
27 results