Research ArticleATMOSPHERIC SCIENCE

Mechanisms and competition of halide substitution and hydrolysis in reactions of N2O5 with seawater

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Science Advances  05 Jun 2019:
Vol. 5, no. 6, eaav6503
DOI: 10.1126/sciadv.aav6503

Supplementary Materials

  • Supplementary material for this article is available at http://advances.sciencemag.org/cgi/content/full/5/6/eaav6503/DC1

    Table S1. Geometries optimized at the ωB97X-D/aug-cc-pVDZ level of theory, corresponding to those shown in Fig. 1 from left to right.

    Table S2. Absolute and relative energies of eight structures shown in Fig. 1 calculated with ωB97X-D/aug cc-pVDZ and CCSD(T)/aug-cc-pVDZ.

  • Supplementary Materials

    This PDF file includes:

    • Table S1. Geometries optimized at the ωB97X-D/aug-cc-pVDZ level of theory, corresponding to those shown in Fig. 1 from left to right.
    • Table S2. Absolute and relative energies of eight structures shown in Fig. 1 calculated with ωB97X-D/aug cc-pVDZ and CCSD(T)/aug-cc-pVDZ.

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