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Volumn 112, Issue 25, 2008, Pages 7631-7644

Chelation of transition metal ions by peptide nanoring

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; ELECTRONIC STRUCTURE; FLOW INTERACTIONS; METAL IONS; NANORINGS; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; POSITIVE IONS; SPIN DYNAMICS; STORAGE ALLOCATION (COMPUTER); TRANSITION METAL COMPOUNDS; TRANSITION METALS;

EID: 48149089019     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp800367c     Document Type: Article
Times cited : (8)

References (22)
  • 10
    • 84906368945 scopus 로고    scopus 로고
    • (b) 1998, 67, 3751.
    • (1998) , vol.3751 , Issue.67
  • 18
    • 84906400410 scopus 로고    scopus 로고
    • The resulting radius is naturally dependent on the choice of the calculational method. The HF/6-31G** calculation gives a value of 1.524 Å, whereas the present DFT (B3LYP/6-31G**) gives 1.636 Å.
    • The resulting radius is naturally dependent on the choice of the calculational method. The HF/6-31G** calculation gives a value of 1.524 Å, whereas the present DFT (B3LYP/6-31G**) gives 1.636 Å.
  • 22
    • 84906368946 scopus 로고    scopus 로고
    • Energetics in an isolated cation is determined by the exchange interaction in accordance with the spin multiplicity. Figure 3 gives an energy difference of 29.6 kcal/mol between Fes2+ and Fe T2+ and of 41.7 kcal/mol between FeT 2+ and FeQ2, Table 2 indicates that the corresponding differences in DφT are 5.6 kcal/mol (between DφT/S and DφT/T) and 25.3 kcal/mol between DφT/T and DφT/Q, These values are different from those for an isolated Fe2+ cation, because the CT from the naked π orbitals to these π-d MOs changes the original exchange interaction
    • 2+ cation, because the CT from the naked π orbitals to these π-d MOs changes the original exchange interaction.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.