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- W2393029510 abstract "The Jahn-Teller distortion of C80 (D5 , C2 ) singlet was studied by ZINDO method. n d v C80(D5 ) is more stable than C80(C2 ), which agrees with the experimental results. Jahn-Teller d v distortion happens in some ions for the C80 (D5d) singlet. Total energy of C80 singlet is affected by n n the increase of electric charges. Electronic spectra of C80 singlet were calculated and the reasons for n the red-shift of UV bands for some ions of C80 (D5 ) singlet compared with that of C80(D5 ) and the n d d blue-shift of UV bands for C80 (C2 ) singlet relative to that of C80(C2 ) were discussed. n v v" @default.
- W2393029510 created "2016-06-24" @default.
- W2393029510 creator A5008959812 @default.
- W2393029510 date "2005-01-01" @default.
- W2393029510 modified "2023-09-25" @default.
- W2393029510 title "Theoretical Studies on Electronic Structures and Spectra for C_(80)~n (D_(5d) ,C_(2v_ ) Singlet" @default.
- W2393029510 hasPublicationYear "2005" @default.
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