The Journal of chemical physics
Scrutinizing oxygen isotope effects in liquid water with coupled cluster accuracy.
Nore Stolte, Harald Forbert, Dominik Marx
Published: 202510.1063/5.0281810
Abstract
Nuclear quantum effects significantly affect the properties of liquid water, in particular due to the quantum delocalization of protons, and differences between normal water (H2O) and heavy water (D2O) are detectable in experiments and simulations. I…
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