دورية
Experimental and ab Initio Studies on Solid-State Hydrogen Isotope Exchange with Spillover Tritium
العنوان: | Experimental and ab Initio Studies on Solid-State Hydrogen Isotope Exchange with Spillover Tritium |
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المؤلفون: | Zolotarev, Y. A., Borisov, Y. A., Myasoedov, N. F. |
المصدر: | The Journal of Physical Chemistry - Part A; June 1999, Vol. 103 Issue: 25 p4861-4864, 4p |
مستخلص: | This study utilizes ab initio calculations to investigate the reaction of high-temperature solid-state catalytic isotope exchange (HSCIE) between amino acids and spillover tritium. The Hartree−Fock approximation and second-order Møller−Plesset perturbation theory in conjunction with 6-31G* and aug-cc-pVDZ basis sets were used to calculate potential energy surfaces for the interactions between CH |
قاعدة البيانات: | Supplemental Index |
تدمد: | 10895639 15205215 |
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