When Theory Meets Experiment: What Does it Take to Accurately Predict ${}^1$H NMR Dipolar Relaxation Rates in Neat Liquid Water from Theory?

Dietmar Paschek, Johanna Busch, Angel Mary Chiramel Tony +5

In this contribution, we compute the ${}^1$H nuclear magnetic resonance (NMR) relaxation rate of liquid water at ambient conditions. We are using structural and dynamical information…