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. 2023 Jul 5;127(28):5872–5886. doi: 10.1021/acs.jpca.3c02899

Table 1. Overview of Considered Critical Points of oNBA and Their Numerical Labels Used Below.

label geom. label geom.
1 S0min 12 S1/T2P
2 S5/S4 13 S1/T2
3 S4/S3 14 T2/T1
4 S3/S2 15 T1min
5 S2/S1P 16 T1/S0CO
6 S2/S1 17 T1/S0NO
7 S1min 18 T1/S0HT
8 S1/S0CO 19 T1birmin
9 S1/S0NO    
10 S1/S0HT    
11 S0birmin