Electronic structures and spectral prope
β
Suchi Guha; Kazuo Nakamoto
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Article
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2005
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Elsevier Science
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English
β 759 KB
methods used for determining energy-optimized electronic structure and calculation of vibrational spectra, is presented. Further, theoretical and spectroscopic investigations of individual endohedral fullerenes are discussed. Such studies provide structural information about the carbon cage, positio