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Quantum Mechanical Simulation of the Interaction Between the Radioprotector cysteamine and DNA

✍ Scribed by H. Broch; D. Cabrol; D. Vasilescu

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
474 KB
Volume
18
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

Role of electron correlation in the quan
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## Abstract The intermolecular electronic correlation contributions to the Coulomb component of the nucleic acid base interaction energy are estimated. The Coulomb energy is evaluated with the use of atomic monopoles, which are determined from the π‐electronic densities calculated by the SCF method

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