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Towards Understanding the Decomposition/Isomerism Channels of Stratospheric Bromine Species: Ab Initio and Quantum Topology Study
The present study aims at a fundamental understanding of bonding characteristics of the C–Br and O–Br bonds. The target molecular systems are the isomeric CH(3)OBr/BrCH(2)OH system and their decomposition products. Calculations of geometries and frequencies at different density functional theory (DF...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4424987/ https://www.ncbi.nlm.nih.gov/pubmed/25815595 http://dx.doi.org/10.3390/ijms16046783 |