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WebNov 29, 2013 · The intermediate transition state for BBS→BSB reaction is numerically optimized using the NEB algorithm , . At convergence, it is reported that the transition state is 1.35 eV above the equilibrium energy of singlet BBS. This result is in good agreement with the triplet energy at the transition state given by B3LYP calculations. WebNov 29, 2013 · The intermediate transition state for BBS→BSB reaction is numerically optimized using the NEB algorithm , . At convergence, it is reported that the transition … coldplay tour 2023 dublin
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