Vibrational, electronic, spectroscopic properties, and NBO analysis of p-xylene, 3,6-difluoro-p-xylene, 3,6-dichloro-p-xylene and 3,6-dibromo-pxylene: DFT study.

Heliyon · 2020 · PMC7772552 · PMID 33385089

Europe PMC DOI

hedged sentence

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closest p

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boldest claim

The sentences

an interesting trendno p-value reported

We observed an interesting trend in chemical reactivity and stability of the studied compounds to show increasing stability and decreasing reactivity moving from DBPX, DCPX, DFPX to PX and this was obtained from the calculated highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) values.

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