Theoretical study of hydrogen bond effects on Diphenylphosphorylazide
نویسندگان
چکیده مقاله:
The interaction of DPPA which is an important component in cellular membrane with molecules of water asmedia, cause some changes in geometry of DPPA .In this study we focused our attention on comparing thismolecule with related hydrated complexes employing different basis sets at hartree-fock levels of theory. Thetheoretical NMR shielding tensor of some imported atoms were also reported.
منابع مشابه
theoretical study of hydrogen bond effects on diphenylphosphorylazide
the interaction of dppa which is an important component in cellular membrane with molecules of water asmedia, cause some changes in geometry of dppa .in this study we focused our attention on comparing thismolecule with related hydrated complexes employing different basis sets at hartree-fock levels of theory. thetheoretical nmr shielding tensor of some imported atoms were also reported.
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عنوان ژورنال
دوره 4 شماره 2
صفحات 51- 56
تاریخ انتشار 2007-08-01
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