2 papers
cond-mat.mtrl-sci2022
Metastable structure of photoexcited WO determined by the pump--probe extended X-ray absorption fine structure spectroscopy and constrained thorough search analysis
Daiki Kido, Hiromitsu Uehara, Satoru Takakusagi +13
We have determined the local structure of photoexcited metastable WO created 150 ps after 400 nm laser irradiation by the pulse pump--probe L-edge extended X-ray absorption…
physics.chem-ph2017
Hidden radical reactivity of the [FeO]2+ group of the (hydro)oxide species in the H-abstraction from methane: a DFT and CASPT2 study
V. Kovalskii, A. A. Shubin, Y. Chen +5
Reactivity of the [FeO]2+ group in the abstraction of hydrogen from methane is determined by metastable oxyl state FeIII-O* causing the negative spin polarization of the methyl moi…