A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds
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"A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds" by Silvia A. Brandán is a astronomy book and space science reference focused on Cosmology. Best for students, researchers, and serious astronomy enthusiasts.
A Structural and Vibrational Investigation into Chromyl Azide, Acetate, Perchlorate and Thiocyanate Compounds reviews the structural and vibrational properties of chromyl azide, acetate, perchlorate, and thiocyanate from a theoretical point of view by using Density Functional Theory (DFT) methods. These compounds are extensively used in organic syntheses and the study of their structure and spectroscopy has become fundamental. 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).
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"A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds" by Silvia A. Brandán is a astronomy book and space science reference focused on Cosmology. Best for students, researchers, and serious astronomy enthusiasts.
Topic: Cosmology
Author: Silvia A. Brandán
Who this is for:
- Astronomy students
- Researchers and advanced hobbyists
- Readers exploring space science topics
Why this book matters: It matters because it helps readers build a stronger understanding of astronomy concepts, observations, and scientific ideas related to space.
A Structural and Vibrational Investigation into Chromyl Azide, Acetate, Perchlorate and Thiocyanate Compounds reviews the structural and vibrational properties of chromyl azide, acetate, perchlorate, and thiocyanate from a theoretical point of view by using Density Functional Theory (DFT) methods. These compounds are extensively used in organic syntheses and the study of their structure and spectroscopy has become fundamental. 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).
| Author | Silvia A. Brandán |
| Publisher | Springer |
| Published | 2012-10-27 |
| ISBN-13 | 9789400757530 |
| Binding | Paperback |
| Pages | 87 |
| Language | English |
| Subjects | Science |
| Topic | Cosmology |
| Series | Springerbriefs in Molecular Science |
Format: Paperback
Length: 87 pages
Language: English
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