Химия и химическая промышленность
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Jong W.A., de. Relativistic Quantum Chemistry Applied
Wibe Albert de Jong. 1997. 159 p.

Part of the phenomena in the chemistry and physics of atoms and molecules find their origin in the finite speed of light and need to be described in the framework of relativistic quantum mechanics. Relativity reveals itself for instance in the fine details of spectra of molecules and atoms and can nowadays be accessed by very accurate measurements, even for the elements in the upper region of the periodic system. If one wants to understand the chemistry and physics of substances containing heavy elements, for which the electrons close to the atomic nuclei acquire velocities approaching the speed of light, one needs a relativistic quantum mechanical description from the outset. In this chapter an introduction will be given on the importance of relativity in chemistry with a brief historical overview that puts my field of research, relativistic quantum chemistry, in perspective. Finally, the goals of this thesis and an outline of its contents are presented.

Contents

General Introduction
Theory and Methodology
Copper halides
Calculations on interhalogens
The ground, excited and ionized states of iodine
Relativity and the chemistry of UF6
The uranyl ion
Summary
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