Large Intermediates in Hydrazine Decomposition: A Theoretical Study of the N₃H₅ and N₄H₆ Potential Energy Surfaces
Large complex formation involved in the thermal decomposition of hydrazine (N₂H₄) is studied using transition state theory-based theoretical kinetics. A comprehensive analysis of the N₃H₅ and N₄H₆ potential energy surfaces was performed at the CCSD(T)-F12a/aug-cc-pVTZ//ωB97x-D3/6-311++G(3df,3pd) lev...
| Main Authors: | , , , |
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| 格式: | 文件 |
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American Chemical Society (ACS)
2020
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| 在线阅读: | https://hdl.handle.net/1721.1/124015 |