Structure, dynamics and vibrational spectrum of supercritical CO2/H2O mixtures from ab initio molecular dynamics as a function of water cluster formation

Vassiliki-Alexandra Glezakou, Roger Rousseau, Liem X. Dang, B. Peter McGrail
  • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry
  • DOI: 10.1039/b923306g
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