[PDF] Unveiling the chemical kinetics of aminomethanol (NH2CH2OH): insights into O. H and O2 photo-oxidation reactions and formamide dominance

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DOI:10.3389/fchem.2024.1407355
Corpus ID: 270156640

@article{Nulakani2024UnveilingTC, title={Unveiling the chemical kinetics of aminomethanol (NH2CH2OH): insights into O. H and O2 photo-oxidation reactions and formamide dominance}, author={Naga Venkateswara Rao Nulakani and Mohamad Akbar Ali}, journal={Frontiers in Chemistry}, year={2024}, volume={12}, url={https://api.semanticscholar.org/CorpusID:270156640}}

Naga Venkateswara Rao Nulakani, Mohamad Akbar Ali
Published in Frontiers in Chemistry 30 May 2024
Chemistry, Environmental Science

Aminomethanol is released into the atmosphere through various sources, including biomass burning. In this study, we have expounded the chemical kinetics of aminomethanol in the reaction pathways initiated by the hydroxyl radical ( O˙ H) with the aid of ab initio//density functional theory (DFT) i.e., coupled-cluster theory (CCSD(T))//hybrid-DFT (M06-2X/6-311++G (3df, 3pd). We have explored various possible directions of the O˙ H radical on aminomethanol, as well as the formation of distinct pre…

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The reaction of methanimine with the hydroperoxy (HO2) radical has been investigated by using a combination of ab initio and density functional theory and master equation calculations based on transition state theory (TST), which revealed that the two hydrogen bonds are formed sequentially.

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[PDF] Unveiling the chemical kinetics of aminomethanol (NH2CH2OH): insights into O. H and O2 photo-oxidation reactions and formamide dominance | Semantic Scholar (2024)

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