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Calculations and Characterization of the Electronic Spectra of DNA Bases Based on ab Initio MP2 Geometries of Different Tautomeric Forms

✍ Scribed by Broo, Anders; Holmén, Anders


Book ID
111677860
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
228 KB
Volume
101
Category
Article
ISSN
1089-5639

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The results of the first calculations at the electron-correlated Møller-Plesset second-order perturbation theory (MP2) method on the vibrational infrared spectra are reported. The obtained spectra have been discussed and compared to those calculated at the density functional theory and Hartree-Fock