On the Nature of Interplay among Major Flexibility Channels in Molecular Rotors

Table 1

The most probable contributions of TD-DFT excited states (singlets).

Excited state 1	Excited state 2
50–>53 (0.042613)	50–>53 (0.917816)
51–>53 (0.025393)	51–>53 (0.063071)
52–>53 (0.918180)

The weight of the individual excitations is given if larger than 0.02.