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  • Ryo Nagumo, Hiromitsu Takaba, Shigejirou Suzuki, Shin-ichi Nakao
  • Chemistry
  • 2001 (First Publication: 1 November 2001)
  • Abstract A methodology based on a molecular simulation technique and permeation theory was applied to the systematic estimation of permeabilities of inorganic gases (Ar, He, Ne, N 2 , O 2 ) throughContinue Reading
  • Farouq Ahmed, Md. Khorshed Alam, +7 authors Akira Miyamoto
  • Materials Science
  • 2010 (First Publication: 1 October 2010)
  • Abstract Ultra accelerated quantum chemical molecular dynamics method (UA-QCMD) was used to study the dynamics of the hydrogen spillover process on Pt/CeO 2 catalyst surface for the first time. TheContinue Reading