D. Asthagiri

most citedHydration and mobility of HO-(aq)

2 citations · 2 across the 2 of their papers we have counts for

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physics.chem-ph2021

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…

physics.chem-ph2002★ 2 cited

Hydration and mobility of HO-(aq)

D. Asthagiri, Lawrence R. Pratt, J. D. Kress +1

The hydroxide anion plays an essential role in many chemical and biochemical reactions. But a molecular-scale description of its hydration state, and hence also its transport, in w…

Molecular dynamics simulations of 1H NMR relaxation in Gd3+--aqua

Hydration and mobility of HO-(aq)

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