ACS Omega (Mar 2018)

Water under Supercritical Conditions: Hydrogen Bonds, Polarity, and Vibrational Frequency Fluctuations from Ab Initio Simulations with a Dispersion Corrected Density Functional

  • Anwesa Karmakar,
  • Amalendu Chandra

DOI
https://doi.org/10.1021/acsomega.7b02036
Journal volume & issue
Vol. 3, no. 3
pp. 3453 – 3462

Abstract

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