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Volumn 110, Issue 4, 2006, Pages 1261-1266

Simulating electron transfer attachment to a positively charged model peptide

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO ELECTRONIC STRUCTURE METHODS; ELECTRON-TRANSFER DISSOCIATION (ETD); METASTABLE STATES;

EID: 32544452428     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp052914j     Document Type: Article
Times cited : (52)

References (30)
  • 5
    • 0035857240 scopus 로고    scopus 로고
    • Much of the pioneering work aimed at understanding the mechanism(s) by which ECD operates has been reported in ref 1 and by the Turecek and Uggerud groups in, for example: (e) Syrstad, E. A.; Turecek, F. J. Phys. Chem. 2001, A105, 11144-1115;
    • (2001) J. Phys. Chem. , vol.A105 , pp. 11144-21115
    • Syrstad, E.A.1    Turecek, F.2
  • 14
    • 22344449081 scopus 로고    scopus 로고
    • The electron attachment step in electron capture (ECD) and Electron-Transfer Dissociation (ETD)
    • in press
    • Iwona Anusiewicz, Joanna Berdys-Kochanska, and Jack Simons. The Electron Attachment Step in Electron Capture (ECD) and Electron-Transfer Dissociation (ETD). J. Phys. Chem., in press.
    • J. Phys. Chem.
    • Anusiewicz, I.1    Berdys-Kochanska, J.2    Simons, J.3
  • 20
    • 32544452571 scopus 로고    scopus 로고
    • note
    • The range of values derives from our using both the self-consistent field (SCF) and second-order Møller-Plesset methods to compute the three electronic energy curves.
  • 27
    • 0033963034 scopus 로고    scopus 로고
    • MOLDEN: A pre- and postprocessing program for molecular and electronic structures
    • Schaftenaar, G.; Noordik, J. H. MOLDEN: a pre- and postprocessing program for molecular and electronic structures, J. Comput.-Aided Mol. Design 2000, 14, 123.
    • (2000) J. Comput.-aided Mol. Design , vol.14 , pp. 123
    • Schaftenaar, G.1    Noordik, J.H.2
  • 28
    • 32544455330 scopus 로고    scopus 로고
    • note
    • + is fully extended, this distance increases to 4.9 Å, so the Coulomb stabilization is 2.9 eV.
  • 29
    • 32544453035 scopus 로고    scopus 로고
    • note
    • - anion have essentially zero relative velocity prior to being accelerated toward one another by their Coulomb attraction.
  • 30
    • 32544450826 scopus 로고    scopus 로고
    • note
    • Because we used an anion with a small electron binding energy and a small physical "size", we can speculate that our findings may also apply to the ECD situation (i.e., capture of a free electron should not be too much different from transfer of an electron from an anion with a small binding energy).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.