Trajectory surface-hopping photoinduced dynamics from Rydberg states of trimethylamine
Pápai, Mátyás, Li, Xusong, Nielsen, Martin M, Møller, Klaus B
Published in Physical chemistry chemical physics : PCCP (12.05.2021)
Published in Physical chemistry chemical physics : PCCP (12.05.2021)
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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
Published in Journal of the American Chemical Society (20.07.2022)
Published in Journal of the American Chemical Society (20.07.2022)
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Ultrafast X-Ray Scattering Measurements of Coherent Structural Dynamics on the Ground-State Potential Energy Surface of a Diplatinum Molecule
Haldrup, Kristoffer, Levi, Gianluca, Biasin, Elisa, Vester, Peter, Laursen, Mads Goldschmidt, Beyer, Frederik, Kjær, Kasper Skov, Brandt van Driel, Tim, Harlang, Tobias, Dohn, Asmus O, Hartsock, Robert J, Nelson, Silke, Glownia, James M, Lemke, Henrik T, Christensen, Morten, Gaffney, Kelly J, Henriksen, Niels E, Møller, Klaus B, Nielsen, Martin M
Published in Physical review letters (13.02.2019)
Published in Physical review letters (13.02.2019)
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Journal Article
Solution Structure and Ultrafast Vibrational Relaxation of the PtPOP Complex Revealed by ΔSCF-QM/MM Direct Dynamics Simulations
Levi, Gianluca, Pápai, Mátyás, Henriksen, Niels E, Dohn, Asmus O, Møller, Klaus B
Published in Journal of physical chemistry. C (05.04.2018)
Published in Journal of physical chemistry. C (05.04.2018)
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Journal Article
Atomistic characterization of the active-site solvation dynamics of a model photocatalyst
van Driel, Tim B, Kjær, Kasper S, Hartsock, Robert W, Dohn, Asmus O, Harlang, Tobias, Chollet, Matthieu, Christensen, Morten, Gawelda, Wojciech, Henriksen, Niels E, Kim, Jong Goo, Haldrup, Kristoffer, Kim, Kyung Hwan, Ihee, Hyotcherl, Kim, Jeongho, Lemke, Henrik, Sun, Zheng, Sundström, Villy, Zhang, Wenkai, Zhu, Diling, Møller, Klaus B, Nielsen, Martin M, Gaffney, Kelly J
Published in Nature communications (28.11.2016)
Published in Nature communications (28.11.2016)
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Journal Article
On the calculation of x-ray scattering signals from pairwise radial distribution functions
Dohn, Asmus O, Biasin, Elisa, Haldrup, Kristoffer, Nielsen, Martin M, Henriksen, Niels E, Møller, Klaus B
Published in Journal of physics. B, Atomic, molecular, and optical physics (28.12.2015)
Published in Journal of physics. B, Atomic, molecular, and optical physics (28.12.2015)
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Journal Article
Ultrafast Rotational and Translational Energy Relaxation in Neat Liquids
Petersen, Jakob, Møller, Klaus B, Hynes, James T, Rey, Rossend
Published in The journal of physical chemistry. B (25.11.2021)
Published in The journal of physical chemistry. B (25.11.2021)
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Journal Article
The Non-Ergodic Nature of Internal Conversion
Sølling, Theis I., Kuhlman, Thomas S., Stephansen, Anne B., Klein, Liv B., Møller, Klaus B.
Published in Chemphyschem (03.02.2014)
Published in Chemphyschem (03.02.2014)
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Journal Article
Audiovisual structural connectivity in musicians and non-musicians: a cortical thickness and diffusion tensor imaging study
Møller, Cecilie, Garza-Villarreal, Eduardo A, Hansen, Niels Chr, Højlund, Andreas, Bærentsen, Klaus B, Chakravarty, M Mallar, Vuust, Peter
Published in Scientific reports (22.02.2021)
Published in Scientific reports (22.02.2021)
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Journal Article
Femtochemistry of bimolecular reactions from weakly bound complexes: computational study of the H + H′OD → H′OH + D or HOD + H′ exchange reactions
Voute, Alexandre, Gatti, Fabien, Møller, Klaus B, Henriksen, Niels E
Published in Physical chemistry chemical physics : PCCP (15.12.2021)
Published in Physical chemistry chemical physics : PCCP (15.12.2021)
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Journal Article
Visualizing the non-equilibrium dynamics of photoinduced intramolecular electron transfer with femtosecond X-ray pulses
Canton, Sophie E, Kjær, Kasper S, Vankó, György, van Driel, Tim B, Adachi, Shin-ichi, Bordage, Amélie, Bressler, Christian, Chabera, Pavel, Christensen, Morten, Dohn, Asmus O, Galler, Andreas, Gawelda, Wojciech, Gosztola, David, Haldrup, Kristoffer, Harlang, Tobias, Liu, Yizhu, Møller, Klaus B, Németh, Zoltán, Nozawa, Shunsuke, Pápai, Mátyás, Sato, Tokushi, Sato, Takahiro, Suarez-Alcantara, Karina, Togashi, Tadashi, Tono, Kensuke, Uhlig, Jens, Vithanage, Dimali A, Wärnmark, Kenneth, Yabashi, Makina, Zhang, Jianxin, Sundström, Villy, Nielsen, Martin M
Published in Nature communications (02.03.2015)
Published in Nature communications (02.03.2015)
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