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並前往http://www.yorku.ca/renef/constants.pdf

Atomic units (au)

1 a.u. of electric dipole = 2.5412D = 2.5412 Debye. = 3.336 × 10−30 C m. kB, RT when T = 298K: 0.00094a.u. = 0.026eV = 0.59kcal/mol = 2.5kJ/mol ...

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