期刊全称 | A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate | 影响因子2023 | Silvia A. Brandán | 视频video | | 发行地址 | Includes supplementary material: | 学科分类 | SpringerBriefs in Molecular Science | 图书封面 |  | 影响因子 | .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). | Pindex | Book 2013 |
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书目名称A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate 影响因子(影响力) 
书目名称A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate 影响因子(影响力)学科排名 
书目名称A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate 网络公开度 
书目名称A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate 网络公开度学科排名 
书目名称A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate 被引频次 
书目名称A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate 被引频次学科排名 
书目名称A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate 年度引用 
书目名称A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate 年度引用学科排名 
书目名称A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate 读者反馈 
书目名称A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate 读者反馈学科排名 
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