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Benjamin C. Shepler et al.
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TL Nguyen et al.
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P Casavecchia et al.
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DL Baulch et al.
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Crossed beam studies of the reactions of atomic oxygen in the ground 3P and first electronically excited 1D states with hydrogen sulfide
N Balucani et al.
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AW Jasper et al.
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ML Morton et al.
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