Hydrogen Isotope Exchange Reaction
نویسنده
چکیده
polarization causes Q1ftf partly to cance12 Qu' and so to reduce the calculated MO approximation DNQ, making it agree better with the observed value.2~ This improvement most probably much outweighs the contrary effects obtained by optimizing Z*. The effect on DNQ of using polarized AO's is quite different in the AO than in the MO approximation. Referring to an earlier paragraph on the variation of Z* in the AO approximation,
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