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Published in 2022 at "Molecules"
DOI: 10.3390/molecules27041286
Abstract: The theoretical description of water properties continues to be a challenge. Using quantum cluster equilibrium (QCE) theory, we combine state-of-the-art quantum chemistry and statistical thermodynamic methods with the almost historical Clausius–Clapeyron relation to study water…
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Keywords:
water;
ionic product;
quantum cluster;
cluster equilibrium ... See more keywords