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22344449081
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The electron attachment step in electron capture (ECD) and Electron-Transfer Dissociation (ETD)
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32544452571
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note
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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.
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22
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Pomelli, C.44
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Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
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Clifford, S.63
Cioslowski, J.64
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Komaromi, I.69
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more..
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0033963034
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MOLDEN: A pre- and postprocessing program for molecular and electronic structures
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Schaftenaar, G.; Noordik, J. H. MOLDEN: a pre- and postprocessing program for molecular and electronic structures, J. Comput.-Aided Mol. Design 2000, 14, 123.
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Schaftenaar, G.1
Noordik, J.H.2
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28
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32544455330
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note
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+ is fully extended, this distance increases to 4.9 Å, so the Coulomb stabilization is 2.9 eV.
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29
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32544453035
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note
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- anion have essentially zero relative velocity prior to being accelerated toward one another by their Coulomb attraction.
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30
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32544450826
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note
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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).
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