Atropisomerism
Detects atropisomers in input structures. Each rotatable bond is sampled, and energies are calculated. If the energy difference between the lowest and the highest energy states is sufficient and the energy difference between the two lowest energy states is small, then this bond is assumed to be atropisomeric.
[32677] 22.2.4
See more details on https://kni.me/w/Zp95urrqk1-66KN1
Detects atropisomers in input structures. Each rotatable bond is sampled, and energies are calculated. If the energy difference between the lowest and the highest energy states is sufficient and the energy difference between the two lowest energy states is small, then this bond is assumed to be atropisomeric.
[32677] 22.2.4
See more details on https://kni.me/w/Zp95urrqk1-66KN1