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- W2569880014 abstract "Two isolated pentagon rule satisfying isomers of C76 are optimized.And 1(D2) isomer is reconfirmed to be the relative more stable one.The X-ray absorption near-edge structure(XANES) spectra are theoretically characterized by the hybrid density functional theory(DFT) method in combination with the full core-hole potentials.Isomer identification of XANES spectra for C76 is found and XANES spectra dependence on local structure of fullerene is discussed." @default.
- W2569880014 created "2017-01-13" @default.
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- W2569880014 date "2009-01-01" @default.
- W2569880014 modified "2023-09-23" @default.
- W2569880014 title "Theoretical XANES spectra for C_(76)isomers" @default.
- W2569880014 hasPublicationYear "2009" @default.
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