Coulomb-assisted dissociative electron attachment: Application to a model peptide

Journal of Physical Chemistry A

Volumn 109, Issue 1, 2005, Pages 250-258

  Sobczyk, Monika ^a,b   Anusiewicz, Iwona ^a,b   Berdys Kochanska, Joanna ^a,b   Sawicka, Agnieszka ^a,b   Skurski, Piotr ^a,b   Simons, Jack ^a  

^a UNIVERSITY OF UTAH   (United States)

^b UNIVERSITY OF GDA SK   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

COULOMB ENERGY; COULOMB POTENTIALS; ELECTRON CAPTURE DISSOCIATION (ECD); FRAGMENTATION;

BINDING ENERGY; CHEMICAL BONDS; GASES; MATHEMATICAL MODELS; NEGATIVE IONS; STABILIZATION;

POLYPEPTIDES;

ALANINE; ANION; DISULFIDE; PEPTIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DIMERIZATION; ELECTRON; PROTEIN TERTIARY STRUCTURE;

ALANINE; ANIONS; DIMERIZATION; DISULFIDES; ELECTRONS; MODELS, MOLECULAR; PEPTIDES; PROTEIN STRUCTURE, TERTIARY;

EID: 12344322708     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0463114     Document Type: Article

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24. The metastability of the anion persists until the bond is very stretched, at which time the anion can become electronically stable. Such stability is not shown in our potential plots, because the anion energies were evaluated vertically at the geometry of the anion. If the anion geometry were allowed to relax to become energetically optimal, the anion energy would drop slightly below that of the neutral at very long R-values.
25. * bond that accompanies the process shown in Figure 8.