Theoretical Study of Methane Storage in Cu-24(m-BDC)(24)

McKee, ML

McKee, ML (reprint author), Auburn Univ, Dept Chem & Biochem, Auburn, AL 36849 USA.

JOURNAL OF PHYSICAL CHEMISTRY A, 2019; 123 (29): 6251

Abstract

Calculations on the Cu-24(m-BDC)(24) (m-BDC = 1,3-benzenedicarboxylate) polyoxometalate (POM) cage with 0, 12, 24, and 40 methane molecules inside wer......

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