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. 2020 Dec 5;168:474–485. doi: 10.1016/j.ijbiomac.2020.12.020

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© 2020 Published by Elsevier B.V.

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Fig. 2 — Molecular geometries with charges and atomic numbers for A. Δ⁹-THCA, C.Δ⁹-THC, E. CBN, G. CBD, and I. CBDA. Frontier molecular orbitals used to explore the HOMO-LUMO of optimized B. Δ⁹-THCA, D. Δ⁹-THC, F. CBN, H. CBD, and J. CBDA were calculated using the DFT approach of Gaussian program package.