Computational study about the derivatives of pyrrole as high-energy-density compounds
| Autor: | Bu-Tong Li, Xue Li, Lu-Lin Li |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Materials science
010304 chemical physics Hydrogen General Chemical Engineering chemistry.chemical_element 02 engineering and technology General Chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics Ring (chemistry) Kinetic energy 01 natural sciences chemistry.chemical_compound chemistry Computational chemistry Modeling and Simulation 0103 physical sciences Nitro Energy density General Materials Science Thermal stability Physics::Atomic Physics 0210 nano-technology Information Systems Pyrrole |
| Zdroj: | Molecular Simulation. 45:1459-1464 |
| ISSN: | 1029-0435 0892-7022 |
| DOI: | 10.1080/08927022.2019.1655561 |
| Popis: | A series of nitro-derivatives of pyrrole were designed by replacing the hydrogen atoms on the pyrrole ring with nitro system. In order to investigate the thermodynamic and kinetic stability of thes... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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