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Journal Articles

Resonant Auger decay of iodobenzene below the I 4d edge

Stephen T. Pratt, Ugo Jacovella, Bérenger Gans, John D. Bozek, David M. P. Holland
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 174309 (2024)
https://doi.org/10.1063/5.0203661
Published: May 2024
View article titled, Resonant Auger decay of iodobenzene below the I 4d edge
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Journal Articles

KineticNet: Deep learning a transferable kinetic energy functional for orbital-free density functional theory

R. Remme, T. Kaczun, M. Scheurer, A. Dreuw, F. A. Hamprecht
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 144113 (2023)
https://doi.org/10.1063/5.0158275
Published: October 2023
View article titled, KineticNet: Deep learning a transferable kinetic energy functional for orbital-free density functional theory
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Journal Articles

Strongly coupled intermediate electronic states in one-color two-photon single valence ionization of O2

Kirk A. Larsen, Roger Y. Bello, Robert R. Lucchese, C. William McCurdy, Daniel S. Slaughter, Thorsten Weber
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 024303 (2023)
https://doi.org/10.1063/5.0128846
Published: January 2023
View article titled, Strongly coupled intermediate electronic states in one-color two-photon single valence ionization of O<sub>2</sub>
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Includes: Supplementary data
Journal Articles

Multiplicative potentials for kinetic energy and exact exchange

Yan Oueis, Viktor N. Staroverov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 204107 (2022)
https://doi.org/10.1063/5.0128508
Published: November 2022
View article titled, Multiplicative potentials for kinetic energy and exact exchange
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Journal Articles

Photoionization from the Xe 4d orbitals of XeF2

R. Forbes, P. Hockett, I. Powis, J. D. Bozek, D. M. P. Holland, S. T. Pratt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 194301 (2021)
https://doi.org/10.1063/5.0068530
Published: November 2021
View article titled, Photoionization from the Xe 4d orbitals of XeF<sub>2</sub>
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Includes: Supplementary data
Journal Articles

Comment on “Electronic, vibrational and torsional couplings in N-methylpyrrole: Ground, first excited and cation states” [J. Chem. Phys. 154, 224305 (2021)]

Alexander R. Davies, David J. Kemp, Timothy G. Wright
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 117101 (2021)
https://doi.org/10.1063/5.0063264
Published: September 2021
View article titled, Comment on “Electronic, vibrational and torsional couplings in <em>N</em>-methylpyrrole: Ground, first excited and cation states” [J. Chem. Phys. 154, 224305 (2021)]
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Journal Articles

Hydrogen-bond network distortion of water in the soft confinement of Nafion membrane

M. Plazanet, I. Morfin, V. Honkimäki, T. Buslaps, C. Petrillo, F. Sacchetti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 244503 (2021)
https://doi.org/10.1063/5.0049625
Published: June 2021
View article titled, Hydrogen-bond network distortion of water in the soft confinement of Nafion membrane
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Journal Articles

The electron affinity of the uranium atom

Sandra M. Ciborowski, Gaoxiang Liu, Moritz Blankenhorn, Rachel M. Harris, Mary A. Marshall, Zhaoguo Zhu, Kit H. Bowen, Kirk A. Peterson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 224307 (2021)
https://doi.org/10.1063/5.0046315
Published: June 2021
View article titled, The electron affinity of the uranium atom
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Includes: Supplementary data
Journal Articles

Threshold photoelectron spectroscopy of the HO2 radical

Xiaofeng Tang, Xiaoxiao Lin, Gustavo A. Garcia, Jean-Christophe Loison, Christa Fittschen, Anja Röder, Domenik Schleier, Xuejun Gu, Weijun Zhang, Laurent Nahon
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 124306 (2020)
https://doi.org/10.1063/5.0022410
Published: September 2020
View article titled, Threshold photoelectron spectroscopy of the HO<sub>2</sub> radical
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Includes: Supplementary data
Journal Articles

Decoupling vibration and electron energy dependencies in the photoelectron circular dichroism of a terpene, 3-carene

Editor’s Pick
Hassan Ganjitabar, Gustavo A. Garcia, Laurent Nahon, Ivan Powis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 034302 (2020)
https://doi.org/10.1063/5.0013448
Published: July 2020
View article titled, Decoupling vibration and electron energy dependencies in the photoelectron circular dichroism of a terpene, 3-carene
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Journal Articles

Variations in Duschinsky rotations in m-fluorotoluene and m-chlorotoluene during excitation and ionization

Alexander R. Davies, David J. Kemp, Lewis G. Warner, Elizabeth F. Fryer, Alan Rees, Timothy G. Wright
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 214303 (2020)
https://doi.org/10.1063/5.0009391
Published: June 2020
View article titled, Variations in Duschinsky rotations in <em>m</em>-fluorotoluene and <em>m</em>-chlorotoluene during excitation and ionization
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Journal Articles

Temporary anion states of fluorine substituted benzenes probed by charge transfer in O2−·C6H6−xFx (x = 0–5) ion–molecule complexes

Marissa A. Dobulis, Michael C. Thompson, Thomas Sommerfeld, Caroline Chick Jarrold
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 204309 (2020)
https://doi.org/10.1063/5.0011321
Published: May 2020
View article titled, Temporary anion states of fluorine substituted benzenes probed by charge transfer in O<sub>2</sub><sup>−</sup>·C<sub>6</sub>H<sub>6−<em>x</em></sub>F<sub><em>x</em></sub> (<em>x</em> = 0–5) ion–molecule complexes
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Includes: Supplementary data
Journal Articles

Vacuum ultraviolet photodynamics of the methyl peroxy radical studied by double imaging photoelectron photoion coincidences

Xiaofeng Tang, Xuejun Gu, Xiaoxiao Lin, Weijun Zhang, Gustavo A. Garcia, Christa Fittschen, Jean-Christophe Loison, Krisztina Voronova, Bálint Sztáray, Laurent Nahon
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 104301 (2020)
https://doi.org/10.1063/5.0002109
Published: March 2020
View article titled, Vacuum ultraviolet photodynamics of the methyl peroxy radical studied by double imaging photoelectron photoion coincidences
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Includes: Supplementary data
Journal Articles

Torsions, low-frequency vibrations, and vibration–torsion (“vibtor”) levels in the m-chlorotoluene cation

David J. Kemp, Lewis G. Warner, Timothy G. Wright
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 064303 (2020)
https://doi.org/10.1063/1.5142992
Published: February 2020
View article titled, Torsions, low-frequency vibrations, and vibration–torsion (“vibtor”) levels in the <em>m</em>-chlorotoluene cation
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Journal Articles

Identification of separate isoenergetic routes for vibrational energy flow in p-fluorotoluene

Adrian M. Gardner, Laura E. Whalley, David J. Kemp, William D. Tuttle, Timothy G. Wright
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 154302 (2019)
https://doi.org/10.1063/1.5126179
Published: October 2019
View article titled, Identification of separate isoenergetic routes for vibrational energy flow in <em>p</em>-fluorotoluene
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Journal Articles

Observation of the onset of torsion-induced, mode-specific dissipative intramolecular vibrational redistribution (IVR)

David J. Kemp, William D. Tuttle, Adrian M. Gardner, Laura E. Whalley, Timothy G. Wright
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 064308 (2019)
https://doi.org/10.1063/1.5115329
Published: August 2019
View article titled, Observation of the onset of torsion-induced, mode-specific dissipative intramolecular vibrational redistribution (IVR)
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Journal Articles

Complexity surrounding an apparently simple Fermi resonance in p-fluorotoluene revealed using two-dimensional laser-induced fluorescence (2D-LIF) spectroscopy

David J. Kemp, Laura E. Whalley, Adrian M. Gardner, William D. Tuttle, Lewis G. Warner, Timothy G. Wright
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 064306 (2019)
https://doi.org/10.1063/1.5083682
Published: February 2019
View article titled, Complexity surrounding an apparently simple Fermi resonance in <em>p</em>-fluorotoluene revealed using two-dimensional laser-induced fluorescence (2D-LIF) spectroscopy
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Journal Articles

Vibronic structure and photoelectron angular distribution in the photoelectron spectrum of ICN

Soumitra Manna, Sabyashachi Mishra
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 204308 (2018)
https://doi.org/10.1063/1.5050461
Published: November 2018
View article titled, Vibronic structure and photoelectron angular distribution in the photoelectron spectrum of ICN
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Includes: Supplementary data
Journal Articles

Auger electron angular distributions following excitation or ionization of the I 3d level in methyl iodide

Ruaridh Forbes, Alberto De Fanis, Cédric Bomme, Daniel Rolles, Stephen T. Pratt, Ivan Powis, Nicholas A. Besley, Saikat Nandi, Aleksandar R. Milosavljević, Christophe Nicolas, John D. Bozek, Jonathan G. Underwood, David M. P. Holland
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 094304 (2018)
https://doi.org/10.1063/1.5045640
Published: September 2018
View article titled, Auger electron angular distributions following excitation or ionization of the I 3d level in methyl iodide
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Includes: Supplementary data
Journal Articles

Identifying complex Fermi resonances in p-difluorobenzene using zero-electron-kinetic-energy (ZEKE) spectroscopy

David J. Kemp, Adrian M. Gardner, William D. Tuttle, Jonathan Midgley, Katharine L. Reid, Timothy G. Wright
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 094301 (2018)
https://doi.org/10.1063/1.5045544
Published: September 2018
View article titled, Identifying complex Fermi resonances in <em>p</em>-difluorobenzene using zero-electron-kinetic-energy (ZEKE) spectroscopy
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