Hydrogen Physisorption on BNC Heterostructures: A Systematic Theoretical Study
نویسندگان
چکیده
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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Investigation of Substituent Effects on the Strength of Hydrogen Bond in the Guanine: Cytosine Base Pairs: A Theoretical Study
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متن کاملtheoretical 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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ژورنال
عنوان ژورنال: Journal of Nano-and electronic Physics
سال: 2021
ISSN: ['2306-4277', '2077-6772']
DOI: https://doi.org/10.21272/jnep.13(4).04026