Theoretical study of hydrogen bond effects on Diphenylphosphorylazide

Abstract

The interaction of DPPA which is an important component in cellular membrane with molecules of water as<br />media, cause some changes in geometry of DPPA .In this study we focused our attention on comparing this<br />molecule with related hydrated complexes employing different basis sets at hartree-fock levels of theory. The<br />theoretical NMR shielding tensor of some imported atoms were also reported.