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By Silvia A. Brandán

A Structural and Vibrational research into Chromyl Azide, Acetate, Perchlorate and Thiocyanate Compounds reports the structural and vibrational homes of chromyl azide, acetate, perchlorate, and thiocyanate from a theoretical viewpoint by utilizing Density sensible conception (DFT) equipment. those compounds are commonly utilized in natural syntheses and the research in their constitution and spectroscopy has develop into primary.
This e-book evaluates the simplest theoretical point and foundation set to breed the experimental info latest for these compounds. To this finish, the optimized geometries and wavenumbers for the traditional modes of vibration are calculated and the got effects are in comparison and analyzed. additionally, the character of the differing kinds of bonds and their corresponding topological houses of digital cost density are systematically and quantitatively investigated through the use of the NBO research and the atoms in molecules conception (AIM).

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A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds (SpringerBriefs in Molecular Science) by Silvia A. Brandán


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