Computational study of H2 generation from BH3 and BH3− with HO˙ radical
Hydrogen formation via reactions involving boron hydrides has attracted increasing attention due to its relevance to clean energy and radical chemistry. In this study, density functional theory at the M06-2X/6-311++G(d,p) level, combined with transition state theory (TST) including Wigner tunneling...
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| Main Authors: | , |
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| Format: | Artigo |
| Language: | Inglês |
| Published: |
The Royal Society of Chemistry
2026-05-01
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| Series: | RSC Advances |
| Online Access: | https://pubs.rsc.org/ra/article-pdf/16/32/29121/13285430/d6ra03503e.pdf |
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