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sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,954

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HOMAc and HOMER aromaticity indices have been supported in Multiwfn

New update today:

New aromaticity indices, HOMAc and HOMER, which were proposed in Phys. Chem. Chem. Phys., 25, 16763 (2023) and J. Org. Chem., 90, 1297 (2025), respectively, have been supported. They are reparameterized versions of HOMA. HOMAc performs better than HOMA in determining S0 state aromaticity, and HOMER is able to characterize aromaticity in T1 state (HOMA is fully failed for this case). HOMAc and HOMER can be calculated by subfunctions 6a and 6b in main function 25, respectively. See Section 3.28.7 of Multiwfn manual for more information.