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. 2024 Jul 11;15(9):3162–3179. doi: 10.1039/d4md00344f

Final energy of geometry optimized structures.

Compound Gas phase energy (eV)
6a −1641.166335
6b −1716.392044
6c −1716.389529
6d −1680.487182
6e −1775.142601
6f −1755.69537
6g −1870.2175
6h −1984.736796
6i −2560.346418
6j −2560.348556