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Questions related from Martin Wortmann
I try to compute the orbital energies of transition metals with ORCA. However, the output files (produced by Avogadro) allways contain only the highest occupied orbital energies (HOMO-8 and...
11 November 2022 7,946 5 View
The Pd thin film sample had a native oxide layer. The spectrum was recorded with Al Kα irradiation. I cant identify the origin of the sub-peak at ~1150eV (green line). From my understanding it...
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The diagram shows Raman spectra (measured with a blue diode laser at 473 nm) of carbonized polyacrylonitrile (PAN) nanofibers. The fibers were in contact with different metal surfaces during...
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The ATR-FTIR spectrum shows hydrochar produced by hydrothermal carbonization of sucrose after subsequent pyrolysis at 1000°C in Nitrogen. The powder sample was pressed onto the diamond ATR...
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I compare the diffusion coefficients of different substances in polymers. While D in glassy polymers tend to correlate better with the kinetic diameter (size dominates), rubberlike polymers tend...
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