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Molecular structure and electron distribution of 4-nitropyridine N-oxide: Experimental and theoretical study of substituent effects

The molecular structure of 4-nitropyridine N-oxide, 4-NO(2)-PyO, has been determined by gas-phase electron diffraction monitored by mass spectrometry (GED/MS) and by quantum chemical calculations (DFT and MP2). Comparison of these results with those for non-substituted pyridine N-oxide and 4-methylp...

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Dettagli Bibliografici
Pubblicato in:J Mol Struct
Autori principali: Belova, Natalya V., Pimenov, Oleg A., Kotova, Vitaliya E., Girichev, Georgiy V.
Natura: Artigo
Lingua:Inglês
Pubblicazione: Elsevier B.V. 2020
Soggetti:
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7230146/
https://ncbi.nlm.nih.gov/pubmed/32427177
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.molstruc.2020.128476
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