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Identification of the Photoreactive Species of Protonated N-Nitrosopiperidine in Acid Medium: A CASPT2 and DFT Study
[Image: see text] In this work, we have studied the initial reaction step after photoexcitation of protonated N-nitrosopiperidine both in the gas and condensed phases. To achieve this end, we have applied the CASPT2 and MP2 wave function methods and the density functional theory approach. It is foun...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10683013/ https://www.ncbi.nlm.nih.gov/pubmed/37948763 http://dx.doi.org/10.1021/acs.jpca.3c06477 |