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Electronic Structures of LixV2O5 (x=0.5 and 1): A Theoretical Study

✍ Scribed by Zhi-Yang Li; Qi-Hui Wu


Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
360 KB
Volume
9
Category
Article
ISSN
1439-4235

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## Abstract Sugar‐base C~1′~N~1~ and phosphate‐sugar C~5′~O~5′~ bond breakings of 2′‐deoxycytidine‐5′‐monophosphates (dCMP) and 2′‐deoxythymidine‐5′‐ monophosphates (dTMP) and their radical anions have been explored theoretically at the B3LYP/DZP++ level of theory. Calculations show that the low‐