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Density functional studies on the electron affinities of DNA and RNA bases

✍ Scribed by Sarmah, Pubalee; Deka, Ramesh C.

Book ID
127316419
Publisher
Taylor and Francis Group
Year
2008
Tongue
English
Weight
351 KB
Volume
34
Category
Article
ISSN
0892-7022

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The ability of approximate Density Functional Theory to calculate molecular electron affinities has been probed by a series of calculations on the hydrides CH,,, NH2, OH, and HC, as well as the multibonded species CN, BO, N1, OCN, and NO,. The simple Hartree-Fock Slater scheme lacks dynamic correlat