An object-oriented scripting interface to a legacy electronic structure code von Bahn, S.R., Jacobsen, K.W.

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Atomic-scale insight into structure and morphology changes of MoS 2 nanoclusters in hydrotreating catalysts von Lauritsen, J.V., Bollinger, M.V., Lægsgaard, E., Jacobsen, K.W., Nørskov, J.K., Clausen, B.S., Topsøe, H., Besenbacher, F.

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Atomic-scale insight into structure and morphology changes of MoS2 nanoclusters in hydrotreating catalysts von LAURITSEN, J. V, BOLLINGER, M. V, LAEGSGAARD, E, JACOBSEN, K. W, NØRSKOV, J. K, CLAUSEN, B. S, TOPSØE, H, BESENBACHER, F

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Molecular transport calculations with Wannier functions von Thygesen, K.S., Jacobsen, K.W.

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Island shapes in homoepitaxial growth of Pt(111) von Jacobsen, J, Jacobsen, K.W, Nørskov, J.K

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Scanning Tunneling Microscopy Evidence for the Dissociation of Carbon Monoxide on Ruthenium Steps von Tison, Yann, Nielsen, Kenneth, Mowbray, Duncan J, Bech, Lone, Holse, Christian, Calle-Vallejo, Federico, Andersen, Kirsten, Mortensen, Jens J, Jacobsen, Karsten W, Nielsen, Jane H

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Matching conditions in the quasicontinuum method: Removal of the error introduced at the interface between the coarse-grained and fully atomistic region von SHIMOKAWA, T, MORTENSEN, J. J, SCHIØTZ, J, JACOBSEN, K. W

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A semi-empirical effective medium theory for metals and alloys von Jacobsen, K.W., Stoltze, P., Nørskov, J.K.

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Finite size effects in chemical bonding: from small clusters to solids von Kleis, J, Greeley, J, Romero, N.A, Morozov, V.A, Falsig, H, Larsen, A.H, Lu, J, Mortensen, J.J, Dulak, M, Thygesen, K.S, Norskov, J.K, Jacobsen, K.W

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Dynamics of partial dislocations in silicon von Hansen, L.B., Stokbro, K., Lundqvist, B.I., Jacobsen, K.W.

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Atomistic Determination of Cross-Slip Pathway and Energetics von Rasmussen, T., Jacobsen, K. W., Leffers, T., Pedersen, O. B., Srinivasan, S. G., Jónsson, H.

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Rate Theory for Correlated Processes: Double Jumps in Adatom Diffusion von Jacobsen, Joachim, Jacobsen, Karsten W., Sethna, James P.

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Highly reliable O-ring packaging concept for MEMS pressure sensors von Pedersen, C., Jespersen, S.T., Jacobsen, K.W., Krog, J.P., Christensen, C., Thomsen, E.V.

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Oxygen adsorption on Pt(110)-(1×2): new high-coverage structures von Helveg, S., Lorensen, H.T., Horch, S., Lægsgaard, E., Stensgaard, I., Jacobsen, K.W., Nørskov, J.K., Besenbacher, F.

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Atomistic simulations of jog migration on extended screw dislocations von Vegge, T, Leffers, T, Pedersen, O.B, Jacobsen, K.W

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Surface chemistry in three dimensions: CO dissociation between two surfaces von Bollinger, M.V., Jacobsen, K.W., Nørskov, J.K.

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Nucleation of the Pt(111) reconstruction: a simulation study von Jacobsen, J., Jacobsen, K.W., Stoltze, P.

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Effects of anisotropic diffusion and finite island sizes in homoepitaxial growth: Pt on Pt(100)-hex von Mortensen, J.J., Linderoth, T.R., Jacobsen, K.W., Lægsgaard, E., Stensgaard, I., Besenbacher, F.

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Chemisorption of H, O, and S on Ni(110): general trends von Besenbacher, F., Stensgaard, I., Ruan, L., Nørskov, J.K., Jacobsen, K.W.

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Many-atom interactions in metals von Nørskov, J.K., Jacobsen, K.W., Stoltze, P., Hansen, L.B.

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