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[en] The spectroscopic and thermodynamic properties of the molecules MC28 (M = Ce, Th, Pa+, U2+, Pu4+) are calculated using density functional theory. The systems have considerable energetic stability. It is shown that the actinide cases can be classified as '32-electron' systems, using the bonding s-, p-, d-, and f-type orbitals of the central metal. The rest of the valence molecular orbitals have purely carbon character. (authors)
Journal
Journal of the American Chemical Society; ISSN 0002-7863; 
; v. 131(no.1); p. 238-243
; v. 131(no.1); p. 238-243