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Volumn 125, Issue 13, 2003, Pages 3839-3848

Model studies of DNA C5′ radicals. Selective generation and reactivity of 2′-deoxyadenosin-5′-yl radical

Author keywords

[No Author keywords available]

Indexed keywords

CYCLIZATION; PULSE RADIOLYSIS;

EID: 0037414324     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja029374d     Document Type: Article
Times cited : (105)

References (79)
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    • 43 running on DEC-Alpha 500 computers employing the B3LYP functional and the valence double-ζ basis set supplemented with polarization d-function on heavy atoms (B3LYP/6-31G*). The unrestricted wave function was used for radical species (UB3LYP/6-31G*). The nature of the transition states was verified by frequency calculations (one imaginary frequency), and energy values were corrected for the zero-point vibrational energy (ZPVE).
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    • 8-Br-dAdo was purchased from Berry & Associates, Inc.


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