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Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters.
Li L, Larsen AH, Romero NA, Morozov VA, Glinsvad C, Abild-Pedersen F, Greeley J, Jacobsen KW, Nørskov JK. Li L, et al. Among authors: jacobsen kw. J Phys Chem Lett. 2013 Jan 3;4(1):222-6. doi: 10.1021/jz3018286. Epub 2012 Dec 26. J Phys Chem Lett. 2013. PMID: 26291235
Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex.
Dohn AO, Jónsson EÖ, Levi G, Mortensen JJ, Lopez-Acevedo O, Thygesen KS, Jacobsen KW, Ulstrup J, Henriksen NE, Møller KB, Jónsson H. Dohn AO, et al. Among authors: jacobsen kw. J Chem Theory Comput. 2017 Dec 12;13(12):6010-6022. doi: 10.1021/acs.jctc.7b00621. Epub 2017 Nov 15. J Chem Theory Comput. 2017. PMID: 29083921
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: jacobsen kw. J Chem Phys. 2024 Mar 7;160(9):092503. doi: 10.1063/5.0182685. J Chem Phys. 2024. PMID: 38450733
One-dimensional metallic edge states in MoS2.
Bollinger MV, Lauritsen JV, Jacobsen KW, Nørskov JK, Helveg S, Besenbacher F. Bollinger MV, et al. Among authors: jacobsen kw. Phys Rev Lett. 2001 Nov 5;87(19):196803. doi: 10.1103/PhysRevLett.87.196803. Epub 2001 Oct 18. Phys Rev Lett. 2001. PMID: 11690441
87 results