The University of Queensland, Australian Institute for Bioengineering and Nanotechnology, Centre for Computational Molecular Science, Qld 4072, Brisbane, Australia.
Phys Chem Chem Phys. 2009 Oct 14;11(38):8422-4. doi: 10.1039/b912507h. Epub 2009 Jul 30.
The calculated quantum mechanical kinetic isotope effects (KIE) agree nearly quantitatively with experimental KIE at room temperature.
计算的量子力学动力学同位素效应 (KIE) 在室温下与实验 KIE 几乎完全一致。