• Kemitorvet, 206, 226

    2800 Kgs. Lyngby

    Denmark

20122019
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Research Output 2012 2019

  • 29 Journal article

Excited state dynamics initiated by an electromagnetic field within the Variational Multi-Configurational Gaussian (vMCG) method

Penfold, T. J., Pápai, M., Møller, K. B. & Worth, G. A., 2019, In : Computational and Theoretical Chemistry. 1160, p. 24-30 7 p.

Research output: Contribution to journalJournal articleResearchpeer-review

61 Downloads (Pure)

Finding intersections between electronic excited state potential energy surfaces with simultaneous ultrafast X-ray scattering and spectroscopy

Kjær, K. S., Van Driel, T. B., Harlang, T. C. B., Kunnus, K., Biasin, E., Ledbetter, K., Hartsock, R. W., Reinhard, M. E., Koroidov, S., Li, L., Laursen, M. G., Hansen, F. B., Vester, P., Christensen, M., Haldrup, K., Nielsen, M. M., Dohn, A. O., Pápai, M. I., Møller, K. B., Chabera, P. & 20 others, Liu, Y., Tatsuno, H., Timm, C., Jarenmark, M., Uhlig, J., Sundstöm, V., Wärnmark, K., Persson, P., Németh, Z., Szemes, D. S., Bajnóczi, É., Vankó, G., Alonso-Mori, R., Glownia, J. M., Nelson, S., Sikorski, M., Sokaras, D., Canton, S. E., Lemke, H. T. & Gaffney, K. J., 2019, In : Chemical Science. 10, 22, p. 5749-5760 12 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File

Mechanism of Photoinduced Dihydroazulene Ring-Opening Reaction

Abedi, M., Pápai, M. I., Mikkelsen, K. V., Henriksen, N. E. & Møller, K. B., 2019, In : Journal of Physical Chemistry Letters. 10, p. 3944-3949 6 p.

Research output: Contribution to journalJournal articleResearchpeer-review

44 Downloads (Pure)

Simulation of ultrafast excited-state dynamics and elastic x-ray scattering by quantum wavepacket dynamics

Pápai, M. I., Rozgonyi, T., Penfold, T. J., Nielsen, M. M. & Møller, K. B., 2019, In : Journal of Chemical Physics. 151, 10, 14 p., 104307.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File

Projects 2016 2019

Atomistic Mechanisms of Functional Molecules

Abedi, M., Møller, K. B., Henriksen, N. E., Pápai, M. I., Coriani, S., Gonzalez, L. & Worth, G. M. A.

Samfinansieret - Andet

01/02/201604/11/2019

Project: PhD