Phase space structures causing the reaction rate decrease in the collinear hydrogen exchange reaction
نویسندگان
چکیده
منابع مشابه
Hydrogen Isotope Exchange Reaction
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...
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ژورنال
عنوان ژورنال: Journal of Mathematical Chemistry
سال: 2019
ISSN: 0259-9791,1572-8897
DOI: 10.1007/s10910-019-01083-4