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- Includes supplementary material: sn.pub/extras
Part of the book series: SpringerBriefs in Molecular Science (BRIEFSMOLECULAR)
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Table of contents (4 chapters)
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Front Matter
About this book
This book evaluates the best theoretical level and basis set to reproduce the experimental data existing for those compounds. To this end, the optimized geometries and wavenumbers for the normal modes of vibration are calculated and the obtained results are compared and analyzed. Also, the nature of the different types of bonds and their corresponding topological properties of electronic charge density are systematically and quantitatively investigated by using the NBO analysis and the atoms in molecules theory (AIM).
Authors and Affiliations
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Instituto de Química Inorgánica, Facultad de Bioquímica, Química y, Universidad Nacional de Tucumán, Tucumán, Argentina
Silvia A. Brandán
About the author
Bibliographic Information
Book Title: A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds
Authors: Silvia A. Brandán
Series Title: SpringerBriefs in Molecular Science
DOI: https://doi.org/10.1007/978-94-007-5754-7
Publisher: Springer Dordrecht
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: The Author(s) 2013
Softcover ISBN: 978-94-007-5753-0Published: 27 October 2012
eBook ISBN: 978-94-007-5754-7Published: 28 October 2012
Series ISSN: 2191-5407
Series E-ISSN: 2191-5415
Edition Number: 1
Number of Pages: VI, 87
Number of Illustrations: 8 b/w illustrations, 1 illustrations in colour
Topics: Theoretical and Computational Chemistry, Inorganic Chemistry, Atomic/Molecular Structure and Spectra, Organic Chemistry