Bond formation in titanium fulleride compounds studied through x-ray emission spectroscopy - art. no. 115117

• The geometric and electronic structures of titanium fulleride complexes have been studied at the gradient corrected density-functional theory level by using various C60Tix (x=1,2) clusters. The cluster with the Ti atom binding on the six-ring site (eta (6

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

SCATTERING SPECTRA; CLUSTERS; FULLERENES; C-60

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