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The role of Hartree-Fock exchange in the simulation of X-ray absorption spectra: A study of photoexcited [Fe(bpy)3]2+

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Publication date 2013
Author Capano G., Penfold T.J., Besley N.A., Milne C.J., Reinhard M., Rittmann-Frank H., Glatzer P., Abela R., Rothlisberger U., Chergui M., Tavernelli I.,
Project Computational simulations for ultrafast X-ray spectroscopy and diffraction of chemical and biological systems
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Original article (peer-reviewed)

Journal Chem. Phys. Lett.
Volume (Issue) 580
Page(s) 179 - 184
Title of proceedings Chem. Phys. Lett.