DTU Chemistry - Klaus Braagaard Møller

Publikationer rss feed

2022
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Azobenzene photoisomerization dynamics

Schnack-Petersen, Anna Kristina ; Pápai, Mátyás ; Møller, Klaus Braagaard
in: Journal of Photochemistry and Photobiology, A: Chemistry, vol: 428

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2022     |    DOI: https://doi.org/10.1016/j.jphotochem.2022.113869

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Disentangling the resonant Auger spectra of ozone

Tenorio, Bruno Nunes Cabral ; Møller, Klaus B. ; Decleva, Piero ; Coriani, Sonia
in: Physical Chemistry Chemical Physics, vol: 24

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2022     |    DOI: https://doi.org/10.1039/d2cp03709b

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Resolving Femtosecond Solvent Reorganization Dynamics in an Iron Complex by Nonadiabatic Dynamics Simulations

Zederkof, Diana Bregenholt ; Møller, Klaus B. ; Nielsen, Martin M. ; Haldrup, Kristoffer ; González, Leticia ; Mai, Sebastian
in: Journal of the American Chemical Society, vol: 144, issue: 28, pages: 12861-12873

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2022     |    DOI: https://doi.org/10.1021/jacs.2c04505

2021
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An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy

Tsuru, Shota ; Vidal, Marta Lopez ; Pápai, Mátyás Imre ; Krylov, Anna I. ; Møller, Klaus Braagaard ; Coriani, Sonia
in: Structural Dynamics, vol: 8, issue: 2

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2021     |    DOI: https://doi.org/10.1063/4.0000070

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Femtochemistry of bimolecular reactions from weakly bound complexes

Voute, Alexandre ; Gatti, Fabien ; Møller, Klaus B. ; Henriksen, Niels E.
in: Physical Chemistry Chemical Physics, vol: 23, issue: 48, pages: 27207-27226

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2021     |    DOI: https://doi.org/10.1039/d1cp04391a

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Trajectory surface-hopping photoinduced dynamics from Rydberg states of trimethylamine

Pápai, Mátyás Imre ; Li, Xusong ; Nielsen, Martin M. ; Møller, Klaus Braagaard
in: Physical Chemistry Chemical Physics, vol: 23, issue: 18, pages: 10964-10977

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2021     |    DOI: https://doi.org/10.1039/d1cp00771h

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Ultrafast Rotational and Translational Energy Relaxation in Neat Liquids

Petersen, Jakob ; Møller, Klaus B. ; Hynes, James T. ; Rey, Rossend
in: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol: 125, issue: 46, pages: 12806–12819

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2021     |    DOI: https://doi.org/10.1021/acs.jpcb.1c08014

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X-ray transient absorption reveals the 1Au (nπ*) state of pyrazine in electronic relaxation

Scutelnic, Valeriu ; Tsuru, Shota ; Pápai, Mátyás ; Yang, Zheyue ; Epshtein, Michael ; Xue, Tian ; Haugen, Eric ; Kobayashi, Yuki ; Krylov, Anna I. ; Møller, Klaus B. ; Coriani, Sonia ; Leone, Stephen R.
in: Nature Communications, vol: 12

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2021     |    DOI: https://doi.org/10.1038/s41467-021-25045-0

2020
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Hot branching dynamics in a light-harvesting iron carbene complex revealed by ultrafast x-ray emission spectroscopy

Tatsuno, Hideyuki ; Kjær, Kasper Skov ; Kunnus, Kristjan ; Harlang, Tobias C. B. ; Timm, Cornelia ; Guo, Meiyuan ; Chabera, Pavel ; Fredin, Lisa A. ; Hartsock, Robert J. ; Reinhard, Marco E. ; Koroidov, Sergey ; Li, Lin ; Cordones, Amy A. ; Gordivska, Olga ; Prakash, Om ; Liu, Yizhu ; Laursen, Mads G. ; Biasin, Elisa ; Hansen, Frederik B. ; Vester, Peter ; Christensen, Morten ; Haldrup, Kristoffer ; Németh, Zoltán ; Sárosiné Szemes, Dorottya ; Bajnóczi, Éva ; Vankó, György ; van Driel, Tim ; Alonso-Mori, Roberto ; Glownia, James M. ; Nelson, Silke ; Sikorski, Marcin ; Lemke, Henrik Till ; Sokaras, Dimosthenis ; Canton, Sophie E. ; Dohn, Asmus O. ; Møller, Klaus B. ; Nielsen, Martin M. ; Gaffney, Kelly J. ; Wärnmark, Kenneth ; Sundström, Villy ; Persson, Petter ; Uhlig, Jens
in: Angewandte Chemie International Edition, vol: 59, issue: 1, pages: 364-372

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1002/anie.201908065

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Hot branching dynamics in a light‐harvesting iron carbene complex revealed by ultrafast x‐ray emission spectroscopy

Tatsuno, Hideyuki ; Kjær, Kasper Skov ; Kunnus, Kristjan ; Harlang, Tobias C. B. ; Timm, Cornelia ; Guo, Meiyuan ; Chabera, Pavel ; Fredin, Lisa A. ; Hartsock, Robert W. ; Reinhard, Marco E. ; Koroidov, Sergey ; Li, Lin ; Cordones, Amy ; Gordivska, Olga ; Prakash, Om ; Liu, Yizhu ; Laursen, Mads ; Biasin, Elisa ; Hansen, Frederik Beyer Kjær ; Vester, Peter ; Christensen, Morten ; Haldrup, Kristoffer ; Németh, Zoltán ; Sárosiné Szemes, Dorottya ; Bajnóczi, Éva ; Vankó, György ; van Driel, Tim B. ; Alonso-Mori, Roberto ; Glownia, James ; Nelson, Silke ; Sikorski, Marcin ; Lemke, Henrik Till ; Sokaras, Dimosthenis ; Canton, Sophie E. ; Dohn, Asmus Ougaard ; Møller, Klaus Braagaard ; Nielsen, Martin Meedom ; Gaffney, Kelly J. ; Wärnmark, Kenneth ; Sundström, Villy ; Persson, Petter ; Uhlig, Jens
in: Angewandte Chemie, vol: 132, issue: 1, pages: 372-380

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1002/ange.201908065