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Browsing by Author "Ougaard Dohn, Asmus"

Browsing by Author "Ougaard Dohn, Asmus"

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    Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy 
    Kjær, Kasper S.; Van Driel, Tim B.; Harlang, Tobias C. B.; Kunnus, Kristjan; Biasin, Elisa; Ledbetter, Kathryn; Hartsock, Robert W.; Reinhard, Marco E.; Koroidov, Sergey; Li, Lin; Laursen, Mads G.; Hansen, Frederik B.; Vester, Peter; Christensen, Morten; Haldrup, Kristoffer; Nielsen, Martin M.; Ougaard Dohn, Asmus; Pápai, Mátyás I.; Møller, Klaus Braagaard; Chabera, Pavel; Liu, Yizhu; Tatsuno, Hideyuki; Timm, Cornelia; Jarenmark, Martin; Uhlig, Jens; Sundstöm, Villy; Wärnmark, Kenneth; Persson, Petter; Németh, Zoltán; Szemes, Dorottya Sárosiné; Bajnóczi, Éva; Vankó, György; Alonso-Mori, Roberto; Glownia, James M.; Nelson, Silke; Sikorski, Marcin; Sokaras, Dimosthenis; Canton, Sophie E.; Lemke, Henrik T.; Gaffney, Kelly J. (Royal Society of Chemistry (RSC), 2019-04-22)
    Light-driven molecular reactions are dictated by the excited state potential energy landscape, depending critically on the location of conical intersections and intersystem crossing points between potential surfaces where non-adiabatic effects govern ...
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    Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles 
    Ougaard Dohn, Asmus; Selli, Daniele; Fazio, Gianluca; Ferraro, Lorenzo; Mortensen, Jens; Civalleri, Bartolomeo; Di Valentin, Cristiana (MDPI AG, 2018-11-13)
    Metal oxide nanoparticles (NPs) are regarded as good candidates for many technological applications, where their functional environment is often an aqueous solution. The correct description of metal oxide electronic structure is still a challenge for ...