Electronic structure of aqueous solutions: Bridging the gap between theory and experiments
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DOI: 10.1126/sciadv.1603210
Abstract: A predictive and efficient computational framework for describing the electronic properties of aqueous solutions is presented. Predicting the electronic properties of aqueous liquids has been a long-standing challenge for quantum mechanical methods. However, it is… read more here.
Keywords: electronic structure; aqueous solutions; electronic properties; structure aqueous ... See more keywords