Najmeh Mostafavi
Department of Chemistry, University of Sistan and Baluchestan, P.O. Box 98135–674, Zahedan, Iran
[ 1 ] - The effect of some mono and bivalent metal cations on the individual hydrogen bond energies in A−T and G−C base pairs
The effect of interactions of various Ia and IIa cations with two positions of the adenine-thymine (A−T) and guanine-cytosine (G−C) base pairs on the geometries and individual hydrogen bond (HB) energies have been investigated by using the atoms in molecules (AIM) method at the B3LYP/6-311++G(d,p) level of theory. The cations that possess higher charge/radius (q/rad) ratio make higher changes o...
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