Valence Photoionization and Energetics of Vanillin, a Sustainable Feedstock Candidate

Studies of valence shell photoionization of Cl2

Photoionization of the valence orbitals of OH

We report the results of studies of the photoionization cross sections and asymmetry parameters for the 3u and 111' levels of OH, corresponding to the production of the A 11, c 111, a 1/l., b 1 :I.+, and X :I.molecular ions. The calculations employed multiplet-specific HartreeFock potentials and numerical photoelectron continuum orbitals, obtained using the iterative Schwinger variational metho...

Symmetry breaking in core-valence double photoionization of SO2

Organic waste as a sustainable feedstock for platform chemicals

Biorefineries have been established since the 1980s for biofuel production, and there has been a switch lately from first to second generation feedstocks in order to avoid the food versus fuel dilemma. To a lesser extent, many opportunities have been investigated for producing chemicals from biomass using by-products of the present biorefineries, simple waste streams. Current facilities apply i...

Time delay in valence shell photoionization of noble gas atoms

We use the non-relativistic random phase approximation with exchange to perform calculations of valence shell photoionization of Ne, Ar, Kr and Xe from their respective thresholds to photon energy of 200 eV. The energy derivative of the complex phase of the photoionization matrix elements is converted to the photoelectron group delay that can be measured in attosecond streaking or twophoton tra...