Base pairs with 5-chloroorotic acid and comparison with the natural nucleobase. Structural and spectroscopic study, and three suggested antiviral modified nucleosides

Abstract

Table 1-SUP. Bond lengths (in Å) and angles (in degrees) calculated with B3LYP and MP2 methods, with different bases in the two conformers of 5-chloroorotic acid. Parameters Conformer syn Conformer anti B3LYP/ 6-31G(d,p) B3LYP/ 6-311++G(3df,pd) MP2/ 6-31G(d,p) B3LYP/ 6-31G(d,p) B3LYP/ 6-311++G(3df,pd) MP2/ 6-31G(d,p)