where R is the gas constant. Recall the Tolman interpretation of E a , namely that it equals the average energy of reacting pairs of reagents minus the average energy of all pairs of reagents. The present paper is mainly concerned with showing the ability of the new method to include quantum nuclear delocalization in dynamics. However, we also wish to stress the strength for practical applications of combining CNEO-TST with DFT, which is known for its balanced efficiency and accuracy. With a careful choice of density functionals, CNEO-TST is highly promising for obtaining accurate rate constants for large and complicated systems where DFT would be the only affordable structural method capable of high accuracy.