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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 44(25), p. 30343-30348, 2023

DOI: 10.1039/d3cp03604a

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Gas phase H<sup>+</sup>, H<sub>3</sub>O<sup>+</sup> and NH<sub>4</sub><sup>+</sup> affinities of oxygen-bearing volatile organic compounds; DFT calculations for soft chemical ionisation mass spectrometry

Journal article published in 2023 by Maroua Omezzine Gnioua ORCID, Anatolii Spesyvyi ORCID, Patrik Španěl ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Structures and energetics of ions MH+, MH3O+, MNH4+ resulting from soft chemical ionisation of organic molecules M were calculated. It was found that the binding energies of H3O+ and NH4+ to molecules correlate with their proton affinities.