Assessing realistic binding energies of some essential interstellar radicals with amorphous solid water - A fully quantum chemical approach

Open Access

Table 3

BSSE-corrected (+) and uncorrected (−) BEs for different radicals for the ASW(1) [H₂O]₂₀ cluster.

Sl no.	Radicals	ωB97X-D / 6-311+G(d,p)
Sl no.	Radicals	−BSSE	+BSSE	$\frac{- BSSE}{+ BSSE}$ ${{ - {\rm{BSSE}}} \over { + {\rm{BSSE}}}}$
1.	CH	1892	1737	1.0892
2.	NH	2083	1898	1.0975
3.	OH	3990	3643	1.0952
4.	SH/HS	2416	2109	1.1456
5.	CN	1192	1086	1.0976
6.	NS	2606	2225	1.1712
7.	NO	931	598	1.5569

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