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J. Cioslowski (1995)
Electronic Structure Calculations on Fullerenes and Their Derivatives
, and La@C82. Structural, electronic, and vibrational properties are determined and compared with experiment whenever possible. In the C60 case, clear characteristic and measurable features are found that distinguish between exo- and endo-complexes. Also in C82, fingerprints of the presence of the guest atom, its position, and charge state are identified in measurable spectra, as well as of the structure of the cage.
Applied Physics A: Materials Science Processing – Springer Journals
Published: Mar 1, 1998
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