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Original Articles

Quantum Chemical Investigation of Two Fullerene C60 Molecules

Pages 603-610 | Published online: 27 Feb 2008
 

ABSTRACT

The calculation data of four systems of two Cm molecules performed using a semiempirical CNDO/S - CI method obtained show three new, additional bands: 342.9 - 364.5, 427.3 - 437.1 and 481.6 - 495.9 nm not found in the calculations of single C60 molecule and charge transfer band in the system of two C60 molecules and two small charges.

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