Molecular dynamics simulations of ${}^1$H NMR relaxation in Gd${}^{3+}$--aqua

Philip M. Singer, Arjun Valiya Parambathu, Thiago J. Pinheiro dos Santos +5

Atomistic molecular dynamics simulations are used to investigate ${}^1$H NMR $T_1$ relaxation of water from paramagnetic Gd${}^{3+}$ ions in solution at 25${}^{\circ }$C. Simulations of t…