Primary H/D kinetic isotope effect for a single proton / hydride / H-atom transfer step: KIE = k_H/k_D. Under classical transition-state theory (no tunneling, κ_H = κ_D = 1), KIE = exp(ℏ(ω_H − ω_D)/(2 k_B T)) with ω_H = ω_0, ω_D = ω_0/√2…
Primary H/D kinetic isotope effect for a single proton / hydride / H-atom transfer step: KIE = k_H/k_D. Under classical transition-state theory (no tunneling, κ_H = κ_D = 1), KIE = exp(ℏ(ω_H − ω_D)/(2 k_B T)) with ω_H = ω_0, ω_D = ω_0/√2…