For these calculations, it is expected that Gaussian basis sets give a decent description of the dynamics and the spectra. The probe energies of interest are low in the X-ray near-edge (XANES) region, ...
Specifically, the blue-green algae (or cyanobacteria) that emerged and proliferated about 2.4 billion years ago would have been able to produce more oxygen as a metabolic by-product because Earth's ...