1-14 of 14
Klaus B. Møller
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

Publisher’s Note: “Tracking structural solvent reorganization and recombination dynamics following e− photoabstraction from aqueous I− with femtosecond x-ray spectroscopy and scattering” [J. Chem. Phys. 157, 224201 (2022)]

Peter Vester, Katharina Kubicek, Roberto Alonso-Mori, Tadesse Assefa, Elisa Biasin, Morten Christensen, Asmus O. Dohn, Tim B. van Driel, Andreas Galler, Wojciech Gawelda, Tobias C. B. Harlang, Niels E. Henriksen, Kasper S. Kjær, Thomas S. Kuhlman, Zoltán Németh, Zhangatay Nurekeyev, Mátyás Pápai, Jochen Rittman, György Vankó, Hasan Yavas, Diana B. Zederkof, Uwe Bergmann, Martin M. Nielsen, Klaus B. Møller, Kristoffer Haldrup, Christian Bressler
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 139903 (2023)
https://doi.org/10.1063/5.0151289
Published: April 2023
View article titled, Publisher’s Note: “Tracking structural solvent reorganization and recombination dynamics following e<sup>−</sup> photoabstraction from aqueous I<sup>−</sup> with femtosecond x-ray spectroscopy and scattering” [J. Chem. Phys. 157, 224201 (2022)]
Open the PDF for Publisher’s Note: “Tracking structural solvent reorganization and recombination dynamics following e<sup>−</sup> photoabstraction from aqueous I<sup>−</sup> with femtosecond x-ray spectroscopy and scattering” [J. Chem. Phys. 157, 224201 (2022)] in another window
Journal Articles

Tracking structural solvent reorganization and recombination dynamics following e− photoabstraction from aqueous I− with femtosecond x-ray spectroscopy and scattering

Featured
Peter Vester, Katharina Kubicek, Roberto Alonso-Mori, Tadesse Assefa, Elisa Biasin, Morten Christensen, Asmus O. Dohn, Tim B. van Driel, Andreas Galler, Wojciech Gawelda, Tobias C. B. Harlang, Niels E. Henriksen, Kasper S. Kjær, Thomas S. Kuhlman, Zoltán Németh, Zhangatay Nurekeyev, Mátyás Pápai, Jochen Rittman, György Vankó, Hasan Yavas, Diana B. Zederkof, Uwe Bergmann, Martin M. Nielsen, Klaus B. Møller, Kristoffer Haldrup, Christian Bressler
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 224201 (2022)
https://doi.org/10.1063/5.0107224
Published: December 2022
View article titled, Tracking structural solvent reorganization and recombination dynamics following e<sup>−</sup> photoabstraction from aqueous I<sup>−</sup> with femtosecond x-ray spectroscopy and scattering
Open the PDF for Tracking structural solvent reorganization and recombination dynamics following e<sup>−</sup> photoabstraction from aqueous I<sup>−</sup> with femtosecond x-ray spectroscopy and scattering in another window
Includes: Supplementary data
Journal Articles

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

Shota Tsuru, Marta L. Vidal, Mátyás Pápai, Anna I. Krylov, Klaus B. Møller, Sonia Coriani
Journal: Structural Dynamics
Struct. Dyn. 8, 024101 (2021)
https://doi.org/10.1063/4.0000070
Published: March 2021
View article titled, An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy
Open the PDF for An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy in another window
Includes: Supplementary data
Journal Articles

Theory of ultrafast x-ray scattering by molecules in the gas phase

Mats Simmermacher, Andrés Moreno Carrascosa, Niels E. Henriksen, Klaus B. Møller, Adam Kirrander
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 174302 (2019)
https://doi.org/10.1063/1.5110040
Published: November 2019
View article titled, Theory of ultrafast x-ray scattering by molecules in the gas phase
Open the PDF for Theory of ultrafast x-ray scattering by molecules in the gas phase in another window
Journal Articles

Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations

Editor’s Pick
Shota Tsuru, Marta L. Vidal, Mátyás Pápai, Anna I. Krylov, Klaus B. Møller, Sonia Coriani
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 124114 (2019)
https://doi.org/10.1063/1.5115154
Published: September 2019
View article titled, Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations
Open the PDF for Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations in another window
Journal Articles

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

Mátyás Pápai, Tamás Rozgonyi, Thomas J. Penfold, Martin M. Nielsen, Klaus B. Møller
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 104307 (2019)
https://doi.org/10.1063/1.5115204
Published: September 2019
View article titled, Simulation of ultrafast excited-state dynamics and elastic x-ray scattering by quantum wavepacket dynamics
Open the PDF for Simulation of ultrafast excited-state dynamics and elastic x-ray scattering by quantum wavepacket dynamics in another window
Journal Articles

Ultrafast structural dynamics of photo-reactions observed by time-resolved x-ray cross-correlation analysis

Editor’s Pick
Peter Vester, Ivan A. Zaluzhnyy, Ruslan P. Kurta, Klaus B. Møller, Elisa Biasin, Kristoffer Haldrup, Martin Meedom Nielsen, Ivan A. Vartanyants
Journal: Structural Dynamics
Struct. Dyn. 6, 024301 (2019)
https://doi.org/10.1063/1.5086374
Published: March 2019
View article titled, Ultrafast structural dynamics of photo-reactions observed by time-resolved x-ray cross-correlation analysis
Open the PDF for Ultrafast structural dynamics of photo-reactions observed by time-resolved x-ray cross-correlation analysis in another window
Journal Articles

Perspective: Preservation of coherence in photophysical processes

Theis I. Sølling, Klaus B. Møller
Journal: Structural Dynamics
Struct. Dyn. 5, 060901 (2018)
https://doi.org/10.1063/1.5079265
Published: December 2018
View article titled, Perspective: Preservation of coherence in photophysical processes
Open the PDF for Perspective: Preservation of coherence in photophysical processes in another window
Journal Articles

Symmetry, vibrational energy redistribution and vibronic coupling: The internal conversion processes of cycloketones

Thomas S. Kuhlman, Stephan P. A. Sauer, Theis I. Sølling, Klaus B. Møller
Journal: The Journal of Chemical Physics
J. Chem. Phys. 137, 22A522 (2012)
https://doi.org/10.1063/1.4742313
Published: August 2012
View article titled, Symmetry, vibrational energy redistribution and vibronic coupling: The internal conversion processes of cycloketones
Open the PDF for Symmetry, vibrational energy redistribution and vibronic coupling: The internal conversion processes of cycloketones in another window
Includes: Supplementary data
Journal Articles

Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of O D ∕ O H in water

Niels E. Henriksen, Klaus B. Møller, Volker Engel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 122, 204320 (2005)
https://doi.org/10.1063/1.1924409
Published: May 2005
View article titled, Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of O D ∕ O H in water
Open the PDF for Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of O D ∕ O H in water in another window
Journal Articles

On the coupling between molecular diffusion and solvation shell exchange

Klaus B. Møller, Rossend Rey, Marco Masia, James T. Hynes
Journal: The Journal of Chemical Physics
J. Chem. Phys. 122, 114508 (2005)
https://doi.org/10.1063/1.1863172
Published: March 2005
View article titled, On the coupling between molecular diffusion and solvation shell exchange
Open the PDF for On the coupling between molecular diffusion and solvation shell exchange in another window
Journal Articles

Instantaneous nonvertical electronic transitions with shaped femtosecond laser pulses: Is it possible?

Niels E. Henriksen, Klaus B. Møller
Journal: The Journal of Chemical Physics
J. Chem. Phys. 119, 2569–2576 (2003)
https://doi.org/10.1063/1.1586701
Published: August 2003
View article titled, Instantaneous nonvertical electronic transitions with shaped femtosecond laser pulses: Is it possible?
Open the PDF for Instantaneous nonvertical electronic transitions with shaped femtosecond laser pulses: Is it possible? in another window
Journal Articles

Quantum dynamics for dissipative systems: A hydrodynamic perspective

Irene Burghardt, Klaus B. Møller
Journal: The Journal of Chemical Physics
J. Chem. Phys. 117, 7409–7425 (2002)
https://doi.org/10.1063/1.1509061
Published: October 2002
View article titled, Quantum dynamics for dissipative systems: A hydrodynamic perspective
Open the PDF for Quantum dynamics for dissipative systems: A hydrodynamic perspective in another window
Journal Articles

On the role of coherence in the transition from kinetics to dynamics: Theory and application to femtosecond unimolecular reactions

Klaus B. Møller, Niels E. Henriksen, Ahmed H. Zewail
Journal: The Journal of Chemical Physics
J. Chem. Phys. 113, 10477–10485 (2000)
https://doi.org/10.1063/1.1323729
Published: December 2000
View article titled, On the role of coherence in the transition from kinetics to dynamics: Theory and application to femtosecond unimolecular reactions
Open the PDF for On the role of coherence in the transition from kinetics to dynamics: Theory and application to femtosecond unimolecular reactions in another window