Hindered rotation of H2 adsorbed interstitially in nanotube bundles

M. K. Kostov, H. Cheng, R. M. Herman, M. W. Cole, J. C. Lewis

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25 Scopus citations

Abstract

Two complementary models of the hindered rotation of interstitial H2 in a nanotube bundle are presented. Both models employ traditional approximations concerning the force laws, supplemented by results of ab initio calculations of the electrostatic field. The models yield similar results, consistent with the experimental observation of a large rotational barrier.

Original languageEnglish (US)
Pages (from-to)1720-1724
Number of pages5
JournalJournal of Chemical Physics
Volume116
Issue number4
DOIs
StatePublished - Jan 22 2002

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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