Research Article
Prediction of Mechanism and Thermochemical Properties of O3 + H2S Atmospheric Reaction
Table 3
Topological analysis of HSOH, HSO, and SOO molecules in atomic units.
| | HSOH | HSO | SOO | |
H–S bond |
S–O bond |
H–O bond |
H–S bond |
S–O bond |
O–O bond |
S–O bond |
| | −0.47454 | −0.28127 | −1.9606 | −0.46772 | −0.45831 | −1.1149 | −0.24991 | | −0.39663 | −0.22767 | −1.9184 | −0.42171 | −0.4015 | −1.7519 | −0.24141 | | 0.18834 | 0.390444 | 0.91642 | 0.225109 | 1.36699 | 1.9251 | 0.77949 | | 0.22245 | 0.192901 | 0.37809 | 0.217379 | 0.26855 | 0.43688 | 0.20482 | | −0.68282 | −0.1185 | −2.9627 | −0.66432 | 0.50718 | −0.26501 | 0.28817 | | 0.19643 | 0.235402 | 0.021986 | 0.10908 | 0.14150 | 0.036940 | 0.035514 |
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