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Premium Vibration spectra and NMR spectra of octahedral ( O h and O ) fullerenes
Author(s)
Li Qian Shu,
Tang Au Chin
Publication year1999
Publication title
international journal of quantum chemistry
Resource typeJournals
PublisherJohn Wiley & Sons
Abstract On analyzing the topological structures of the three big types of octahedral fullerenes: (1) C n ( O h , n =24 h 2 ; h =1, 2,…); (2) C n ( O h , n =8 h 2 ; h =1, 2,…), and (3) C n ( O , n =8( h 2 + hk + k 2 ); h > k , h ,  k =1, 2,…), we have obtained theoretically the infrared and Raman active modes by means of the derived formulas for the decomposition of their nuclear motions into irreducible representations and the NMR spectra by using the distribution functions for all of the octahedral ( O h and O ) fullerenes, respectively. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 72: 199–205, 1999
Subject(s)chemistry , computational chemistry , crystal structure , crystallography , fullerene , materials science , nmr spectra database , nuclear magnetic resonance , octahedron , organic chemistry , physics , quantum mechanics , spectral line
Language(s)English
SCImago Journal Rank0.484
H-Index105
eISSN1097-461X
pISSN0020-7608
DOI10.1002/(sici)1097-461x(1999)72:3<199::aid-qua4>3.0.co;2-q

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