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Photoionization spectra of B‐DNA and Z‐DNA
Author(s) -
Vercauteren D. P.,
Clementi E.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560240706
Subject(s) - photoionization , spectral line , valence electron , dna , chemistry , atomic physics , valence (chemistry) , electron , ab initio , molecular physics , ionization , physics , ion , biochemistry , organic chemistry , quantum mechanics , astronomy
The photoionization spectra of B‐DNA and Z‐DNA are predicted and interpreted from ab initio computations of B‐DNA and Z‐DNA fragments. Each peak of the spectra of the two conformers is assigned in terms of unambiguous atomic components not only for the well‐separated inner shell electron peaks but also for the more complex valence electrons region.