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Semiempirical molecular dynamics studies of C60/C70 fullerene oxides: C60O, C60O2 and C70O

โœ Scribed by Bo-Cheng Wang; Likey Chen; Kuei-Jen Lee; Chang-Yuan Cheng


Book ID
114143478
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
497 KB
Volume
469
Category
Article
ISSN
0166-1280

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Semi-empirical, ab initio Hartrce-Fock, and density functional studies (including gradient corrections) on the structures and stabilities of C,O and C&H2 are reported. Two low-energy isomers are found for both compounds which are roughly comparable in energy. These are obtained by bridging across th