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Volumn 105, Issue 27, 2001, Pages 6437-6444

Using density functional theory to design DNA base analogues with low oxidation potentials

Author keywords

[No Author keywords available]

Indexed keywords

ONE-ELECTRON REDOX POTENTIALS; SUBSTITUTED NUCLEOBASES;

EID: 0035850367     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp010643g     Document Type: Article
Times cited : (82)

References (75)
  • 57
    • 0011387708 scopus 로고    scopus 로고
    • note
    • 3+.
  • 64
    • 3643084753 scopus 로고
    • - (B = nucleobase), the energy difference, including the continuum solvation model in the electronic structure calculation, is the adiabatic redox potential that is commonly measured using electrochemical techniques, such as cyclic voltammetry (CV). Usually, solution redox potentials are reported as relative potentials; that is, they are referenced to a standard electrode with a specific potential. For the standard hydrogen electrode (SHE), the absolute potential has been determined experimentally to be 4.43 eV (Reiss, H.; Heller, A. J. Phys. Chem. 1985, 89, 4207-4213). So, to relate experimental redox potentials to the computed absolute energies, the reference potential needs to be added.
    • (1985) J. Phys. Chem. , vol.89 , pp. 4207-4213
    • Reiss, H.1    Heller, A.2
  • 73
    • 0346948866 scopus 로고
    • Fukui, K. Science 1982, 218, 747-754.
    • (1982) Science , vol.218 , pp. 747-754
    • Fukui, K.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.