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The Experimental Hardness and Electronegativity of the Purines and Pyrimidines in DNA and RNA Supported by the AM1 Calculation of the Electron Affinities and Ionization Potentials

✍ Scribed by Q. Zhang; E.C.M. Chen


Book ID
115577753
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
237 KB
Volume
217
Category
Article
ISSN
0006-291X

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## Abstract By making the atomic effective charge self‐consistent with the molecular charge density, it is shown that the PPP method can accurately predict the ionization potential and electron affinity computed as an energy difference of separately minimized ground and ionized states. The calculat