Real-Time Observation of Surface Bond Breaking with an X-ray Laser von Dell'Angela, M., Anniyev, T., Beye, M., Coffee, R., Föhlisch, A., Gladh, J., Katayama, T., Kaya, S., Krupin, O., LaRue, J., Møgelhøj, A., Nordlund, D., Nørskov, J. K., Öberg, H., Ogasawara, H., Öström, H., Pettersson, L. G. M., Schlotter, W. F., Sellberg, J. A., Sorgenfrei, F., Turner, J. J., Wolf, M., Wurth, W., Nilsson, A.

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Selective ultrafast probing of transient hot chemisorbed and precursor states of CO on Ru(0001) von Beye, M, Anniyev, T, Coffee, R, Dell'Angela, M, Föhlisch, A, Gladh, J, Katayama, T, Kaya, S, Krupin, O, Møgelhøj, A, Nilsson, A, Nordlund, D, Nørskov, J K, Öberg, H, Ogasawara, H, Pettersson, L G M, Schlotter, W F, Sellberg, J A, Sorgenfrei, F, Turner, J J, Wolf, M, Wurth, W, Oström, H

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Optical laser-induced CO desorption from Ru(0001) monitored with a free-electron X-ray laser: DFT prediction and X-ray confirmation of a precursor state von Öberg, H., Gladh, J., Dell'Angela, M., Anniyev, T., Beye, M., Coffee, R., Föhlisch, A., Katayama, T., Kaya, S., LaRue, J., Møgelhøj, A., Nordlund, D., Ogasawara, H., Schlotter, W.F., Sellberg, J.A., Sorgenfrei, F., Turner, J.J., Wolf, M., Wurth, W., Öström, H., Nilsson, A., Nørskov, J.K., Pettersson, L.G.M.

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Optical laser-induced CO desorption from Ru(0001) monitored with a free-electron X-ray laser: DFT prediction and X-ray confirmation of a precursor state von Öberg, H., Gladh, J., Dell'Angela, M., Anniyev, T., Beye, M., Coffee, R., Föhlisch, A., Katayama, T., Kaya, S., LaRue, J., Møgelhøj, A., Nordlund, D., Ogasawara, H., Schlotter, W. F., Sellberg, J. A., Sorgenfrei, F., Turner, J. J., Wolf, M., Wurth, W., Öström, H., Nilsson, A., Nørskov, J. K., Pettersson, L. G. M.

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Optical laser-induced CO desorption from Ru(0001) monitored with a free-electron X-ray laser: DFT prediction and X-ray confirmation of a precursor state von Öberg, H., Gladh, J., Dell'Angela, M., Anniyev, T., Beye, M., Coffee, R., Föhlisch, A., Katayama, T., Kaya, S., LaRue, J., Møgelhøj, A., Nordlund, D., Ogasawara, H., Schlotter, W. F., Sellberg, J. A., Sorgenfrei, F., Turner, J. J., Wolf, M., Wurth, W., Öström, H., Nilsson, A., Nørskov, J. K., Pettersson, L. G. M.

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Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like von Møgelhøj, Andreas, Kelkkanen, André K, Wikfeldt, K. Thor, Schiøtz, Jakob, Mortensen, Jens Jørgen, Pettersson, Lars G. M, Lundqvist, Bengt I, Jacobsen, Karsten W, Nilsson, Anders, Nørskov, Jens K

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Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation von Wellendorff, Jess, Lundgaard, Keld T., Møgelhøj, Andreas, Petzold, Vivien, Landis, David D., Nørskov, Jens K., Bligaard, Thomas, Jacobsen, Karsten W.

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On the performance of quantum chemical methods to predict solvatochromic effects: The case of acrolein in aqueous solution von Aidas, Kestutis, Møgelhøj, Andreas, Nilsson, Elna J. K., Johnson, Matthew S., Mikkelsen, Kurt V., Christiansen, Ove, Söderhjelm, Pär, Kongsted, Jacob

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Solvent Effects on NMR Isotropic Shielding Constants. A Comparison between Explicit Polarizable Discrete and Continuum Approaches von Aidas, Kestutis, Møgelhøj, Andreas, Nielsen, Christian B, Mikkelsen, Kurt V, Ruud, Kenneth, Christiansen, Ove, Kongsted, Jacob

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High pH and not allelopathy may be responsible for negative effects of Nodularia spumigena on other algae von MØGELHØJ, Mia K, HANSEN, Per Juel, HENRIKSEN, Peter, LUNDHOLM, Nina

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Prediction of spin-spin coupling constants in solution based on combined density functional theory/molecular mechanics von Møgelhøj, Andreas, Aidas, Kestutis, Mikkelsen, Kurt V., Sauer, Stephan P. A., Kongsted, Jacob

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Solvent effects on the nitrogen NMR shielding and nuclear quadrupole coupling constants in 1-methyltriazoles von Møgelhøj, Andreas, Aidas, Kestutis, Mikkelsen, Kurt V., Kongsted, Jacob

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Ab initio van der Waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like von Møgelhøj, Andreas, Kelkkanen, André, Wikfeldt, K. Thor, Schiøtz, Jakob, Mortensen, Jens Jørgen, Pettersson, Lars G. M, Lundqvist, Bengt I, Jacobsen, Karsten W, Nilsson, Anders, Nørskov, Jens K

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Ab initio van der Waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like von Møgelhøj, Andreas, Kelkkanen, André, Wikfeldt, K Thor, Schiøtz, Jakob, Mortensen, Jens Jørgen, Pettersson, Lars G M, Lundqvist, Bengt I, Jacobsen, Karsten W, Nilsson, Anders, Nørskov, Jens K

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Display stand von Mogelhoj, John

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