By Silvia A. Brandán
This publication evaluates the easiest theoretical point and foundation set to breed the experimental facts present for these compounds. To this finish, the optimized geometries and wavenumbers for the conventional modes of vibration are calculated and the got effects are in comparison and analyzed. additionally, the character of the different sorts of bonds and their corresponding topological houses of digital cost density are systematically and quantitatively investigated by utilizing the NBO research and the atoms in molecules idea (AIM).
Read Online or Download A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds (SpringerBriefs in Molecular Science) PDF
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