| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374187 | Chemical Physics | 2012 | 13 Pages |
Abstract
⺠Reactions of four guanine radicals with carbonate radical anion were studied. ⺠This is the first theoretical study of this problem. ⺠Density functional, MP2 theories and polarizable continuum model were employed. ⺠Water molecules catalyze the reactions by facilitating proton transfer. ⺠Role of the solvent medium used in experiments is critically evaluated.
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Authors
Amarjeet Yadav, P.C. Mishra,