02323nas a2200217   4500008004100000022001400041245007500055210006900130260006700199300001200266490000800278520158100286653001801867653002201885653001001907100002701917700002201944700001801966700001601984856010502000       2015                        eng d  a0020-760800aElectron attachment to DNA and RNA nucleobases: an EOMCC investigation0 aElectron attachment to DNA and RNA nucleobases an EOMCC investig  a111 RIVER ST, HOBOKEN 07030-5774, NJ USAbWILEY-BLACKWELLcJUN  a753-7640 v1153 a<p>We report a benchmark theoretical investigation of both vertical and adiabatic electron affinities of DNA and RNA nucleobases: adenine, guanine, cytosine, thymine, and uracil using equation of motion coupled cluster method. The vertical electron affinity (VEA) values of the first five states of the DNA and RNA nucleobases are computed. It is observed that the first electron attached state is energetically accessible in gas phase. Furthermore, an analysis of the natural orbitals exhibits that the first electron attached states of uracil and thymine are valence-bound in nature and undergo significant structural changes on attachment of an extra electron, which reflects in the deviation of the adiabatic electron affinity (AEA) than that of the vertical ones. Conversely, the first electron attached states of cytosine, adenine, and guanine are in the category of dipole-bound anions. Their structure, by and large, remain unaffected on attachment of an extra electron, which is evident from the observed small difference between the AEA and VEA values. VEA and AEA values of all the DNA and RNA nucleobases are found to be negative, which implies that the first electron attached states are not stable rather quasi bound. The results of all previous theoretical calculations are out of track and shows large deviation with respect to the experimentally measured values, whereas, our results are found to be in good agreement. Therefore, our computed values can be used as a reliable standard to calibrate new theoretical methods. (c) 2015 Wiley Periodicals, Inc.</p>10aDNA-RNA bases10aelectron affinity10aEOMCC1 aDutta, Achintya, Kumar1 aSengupta, Turbasu1 aVaval, Nayana1 aPal, Sourav  uhttps://library.ncl.res.in/content/electron-attachment-dna-and-rna-nucleobases-eomcc-investigation-0