Theoretical XANES spectra for C_(76)isomers
摘要
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 fu...
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赵挺, 高斌, 刘蕾, 等. Theoretical XANES spectra for C_(76)isomers[J]. 未知来源, 2009.
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