Klaus Braagaard Møller

Klaus Braagaard Møller

Professor

DTU KEMI
Institut for Kemi

Kemi: Faculty
kemi-l-ledergruppe
Fysisk og Biofysisk Kemi: Teoretisk Computer Femtokemi Faculty

Danmarks Tekniske Universitet

Kemitorvet 207

Bygning 206, rum 231

2800 Kgs. Lyngby

Tlf.
Mobil
Fax 45 88 31 36
E-mail kbmo@kemi.dtu.dk
ORCID 0000-0002-9797-7437
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2017
 

Solvent-Controlled Chemoselectivity in the Photolytic Release of Hydroxamic Acids and Carboxamides from Solid Support

Qvortrup, Katrine ; Petersen, Rico ; Dohn, Asmus Ougaard ; Møller, Klaus Braagaard ; Nielsen, Thomas Eiland
in journal: Organic Letters (ISSN: 1523-7060) (DOI: http://dx.doi.org/10.1021/acs.orglett.7b01386), vol: 19, issue: 12, pages: 3263-3266, 2017

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2017     |    DOI: http://dx.doi.org/10.1021/acs.orglett.7b01386

 

Time-resolved X-ray scattering by electronic wave packets: analytic solutions to the hydrogen atom

Simmermacher, Mats ; Henriksen, Niels Engholm ; Møller, Klaus Braagaard
in journal: Physical Chemistry Chemical Physics (ISSN: 1463-9076) (DOI: http://dx.doi.org/10.1039/c7cp01831b), vol: 19, issue: 30, pages: 19740-19749 , 2017

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2017     |    DOI: http://dx.doi.org/10.1039/c7cp01831b

 

Ultrafast X-ray absorption study of longitudinal-transverse phonon coupling in electrolyte aqueous solution

Jiao, Yishuo ; Adams, Bernhard W. ; Dohn, Asmus Ougaard ; Møller, Klaus Braagaard ; Jonsson, Hannes ; Rose-Petruck, Christoph
in journal: Physical Chemistry Chemical Physics (ISSN: 1463-9076) (DOI: http://dx.doi.org/10.1039/c7cp02978k), vol: 19, issue: 40, pages: 27266-27274, 2017

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2017     |    DOI: http://dx.doi.org/10.1039/c7cp02978k

2016
  PDF

Corrigendum: On the calculation of x-ray scattering signals from pairwise radial distribution functions (2015 J. Phys. B: At. Mol. Opt. Phys. 48 244010)

Dohn, Asmus Ougaard ; Biasin, Elisa ; Haldrup, Kristoffer ; Nielsen, Martin Meedom ; Henriksen, Niels Engholm ; Møller, Klaus Braagaard
in journal: Journal of Physics B: Atomic, Molecular and Optical Physics (ISSN: 0953-4075) (DOI: http://dx.doi.org/10.1088/0953-4075/49/5/059501), vol: 49, issue: 5, 2016

Type: Comment/debate (Peer reviewed)

Status: Published     |    År: 2016     |    DOI: http://dx.doi.org/10.1088/0953-4075/49/5/059501

  PDF

Characterizing the Solvated Structure of Photoexcited [Os(terpy)2]2+ with X-ray Transient Absorption Spectroscopy and DFT Calculations

Zhang, Xiaoyi ; Pápai, Mátyás Imre ; Møller, Klaus Braagaard ; Zhang, Jianxin ; Canton, Sophie E.
in journal: Molecules (ISSN: 1420-3049) (DOI: http://dx.doi.org/10.3390/molecules21020235), vol: 21, issue: 2, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2016     |    DOI: http://dx.doi.org/10.3390/molecules21020235

 

Observing Solvation Dynamics with Simultaneous Femtosecond X-ray Emission Spectroscopy and X-ray Scattering

Haldrup, Kristoffer ; Gawelda, Wojciech ; Abela, Rafael ; Alonso-Mori, Roberto ; Bergmann, Uwe ; Bordage, Amelie ; Cammarata, Marco ; Canton, Sophie E. ; Dohn, Asmus Ougaard ; Brandt van Driel, Tim ; Fritz, David M. ; Galler, Andreas ; Glatzel, Pieter ; Harlang, Tobias ; Kjær, Kasper Skov ; Lemke, Henrik T. ; Møller, Klaus Braagaard ; Nemeth, Zoltan ; Pápai, Mátyás Imre ; Sas, Norbert ; Uhlig, Jens ; Zhu, Diling ; Vanko, György ; Sundström, Villy ; Nielsen, Martin Meedom ; Bressler, Christian
in journal: Journal of Physical Chemistry B (ISSN: 1520-6106) (DOI: http://dx.doi.org/10.1021/acs.jpcb.5b12471), vol: 120, issue: 6, pages: 1158-1168, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2016     |    DOI: http://dx.doi.org/10.1021/acs.jpcb.5b12471

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Femtosecond X-Ray Scattering Study of Ultrafast Photoinduced Structural Dynamics in Solvated [Co(terpy)2]2+

Biasin, Elisa ; Brandt van Driel, Tim ; Kjær, Kasper Skov ; Dohn, Asmus Ougaard ; Christensen, Morten ; Harlang, Tobias ; Chabera, Pavel ; Liu, Yizhu ; Uhlig, Jens ; Pápai, Mátyás Imre ; Møller, Klaus Braagaard ; Nielsen, Martin Meedom ; Haldrup, Kristoffer
in journal: Physical Review Letters (ISSN: 0031-9007) (DOI: http://dx.doi.org/10.1103/PhysRevLett.117.013002), vol: 117, issue: 1, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2016     |    DOI: http://dx.doi.org/10.1103/PhysRevLett.117.013002

  PDF

Effect of tert-Butyl Functionalization on the Photoexcited Decay of a Fe(II)-N-Heterocyclic Carbene Complex

Pápai, Mátyás Imre ; Penfold, Thomas J. ; Møller, Klaus Braagaard
in journal: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter (ISSN: 1932-7447) (DOI: http://dx.doi.org/10.1021/acs.jpcc.6b05023), vol: 120, issue: 31, pages: 17234-17241, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2016     |    DOI: http://dx.doi.org/10.1021/acs.jpcc.6b05023

  PDF

Elucidating the Ultrafast Dynamics of Photoinduced Charge Separation in Metalloporphyrin-Fullerene Dyads Across the Electromagnetic Spectrum

Zhang, J. ; Pápai, Mátyás Imre ; Hirsch, A. ; Jennings, G. ; Kurtz, C. A. ; Møller, Klaus Braagaard ; Lomoth, R. ; Gosztola, D. ; Zhang, X. ; Canton, S. E.
in journal: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter (ISSN: 1932-7447) (DOI: http://dx.doi.org/10.1021/acs.jpcc.6b06005), vol: 120, issue: 35, pages: 19537-19546, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2016     |    DOI: http://dx.doi.org/10.1021/acs.jpcc.6b06005

 

Butterfly Deformation Modes in a Photoexcited Pyrazolate-Bridged Pt Complex Measured by Time-Resolved X-Ray Scattering in Solution

Haldrup, Kristoffer ; Dohn, Asmus Ougaard ; Shelby, Megan L. ; Mara, Michael W. ; Stickrath, Andrew B. ; Harpham, Michael R. ; Huang, Jier ; Zhang, Xiaoyi ; Møller, Klaus Braagaard ; Chakraborty, Arnab ; Castellano, Felix N. ; Tiede, David M. ; Chen, Lin X.
in journal: Journal of Physical Chemistry A (ISSN: 1089-5639) (DOI: http://dx.doi.org/10.1021/acs.jpca.6b07728), vol: 120, issue: 38, pages: 7475-7483, 2016

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2016     |    DOI: http://dx.doi.org/10.1021/acs.jpca.6b07728