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Volumn , Issue 9, 2006, Pages 1024-1026

Direct influence of hydrogen-bonding on the reduction potential of a CuII center

Author keywords

[No Author keywords available]

Indexed keywords

COPPER COMPLEX; HYDROGEN; HYDROXYL GROUP; OXYGEN;

EID: 33244472111     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/b517340j     Document Type: Article
Times cited : (20)

References (28)
  • 26
    • 34250817103 scopus 로고
    • the BH-LYP density functional (A. D. Becke, J. Chem. Phys., 1993, 98, 1372;
    • (1993) J. Chem. Phys. , vol.98 , pp. 1372
    • Becke, A.D.1
  • 28
    • 0039209924 scopus 로고
    • and a triple-ζ valence basis set with polarization functions (TZV(p,d)) (C. Huber, R. Ahlrichs and A. Schäfer, J. Chem. Phys., 1994, 100, 5829). The UHF formalism has been applied for all open-shell species. All molecular structures have been optimized on the BH-LYP/TZV(p,d) level of theory.
    • (1994) J. Chem. Phys. , vol.100 , pp. 5829
    • Huber, C.1    Ahlrichs, R.2    Schäfer, A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.