A two transition state model is applied to the study of the addition of hydroxyl radical to ethylene. This reaction serves as a prototypical example of a radical-molecule reaction with a negative activation energy in the high-pressure limit. The model incorporates variational treatments of both inner and outer transition states. The outer transition state is treated with a recently derived long...

In this article, in order to demonstrate the pragmatic elements of Rawls’s viewpoint, the developmental path of his A Theory of Justice shall first be investigated. This development has two phases: In the first phase, justice has an ethical-philosophical basis. In A Theory of Justice, this phase is specifically shown under the title of theory of justice. In the second phase, justice has no phil...

X-ray emission spectroscopy is widely used as a practical tool for compositional analysis of local specimen area and elemental mapping analysis in electron microscopes. X-rays with energy more than a few keV are dominantly due to electronic transitions between inner-shell electron levels. Those characteristic X-ray energies are useful for assignment of elements. On the other hand, X-rays origin...

Numerical simulation of seismic waves is essential for understanding field observations and developing inversion schemes. The wavefields generated by the most popular numerical methods such as finite differences and finite elements are often contaminated with grid dispersion and edge reflections. We will present a grid dispersion and stability analysis based on a generalized eigenvalue formulat...

A scheme is reported for the perturbative calculation of spin-orbit coupling (SOC) within the spin-free exact two-component theory in its one-electron variant (SFX2C-1e) in combination with the equation-of-motion coupled-cluster singles and doubles method. Benchmark calculations of the spin-orbit splittings in 2Π and 2P radicals show that the accurate inclusion of scalar-relativistic effects us...