Search Results - "dispersion interactions"

Flexibility in a Metal–Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al) by Walker, A., Civalleri, B., Slater, B., Mellot-Draznieks, C., Corà, F., Zicovich-Wilson, C.M., Román-Pérez, G., Soler, J., Gale, Julian

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Predicting vapor liquid equilibria using density functional theory: a case study of argon by Goel, Himanshu, Ling, Sanliang, Ellis, Breanna Nicole, Taconi, Anna, Slater, Ben, Rai, Neeraj

Subjects: “…Density functional theory; Vapor liquid equilibria; Dispersion interactions; First principles Monte Carlo; Liquid structure…”
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