Table 1. Elements of PyFREC input: components (μx,
μy, μz) and magnitudes
|μ| of transition dipole moments of lowest singlet
states of the molecular fragments calculated at the
CAM-B3LYP-GD3BJ/Def2TZVPP level of theory in CPCM solvent:
acetonitrile).[4]
Table 1. Elements of PyFREC
input: components (μx, μy,
μz) and magnitudes |μ| of transition
dipole moments of lowest singlet states of the molecular fragments
calculated at the CAM-B3LYP-GD3BJ/Def2TZVPP level of theory in CPCM
solvent: acetonitrile).[4]
Table 1. Elements of
PyFREC input: components (μx, μy,
μz) and magnitudes |μ| of transition
dipole moments of lowest singlet states of the molecular fragments
calculated at the CAM-B3LYP-GD3BJ/Def2TZVPP level of theory in CPCM
solvent: acetonitrile).[4]