A density functional study on some cyclic N10 isomers
نویسندگان
چکیده
منابع مشابه
A Density Functional Theory Study of Boron Nitride Nano-Ribbons
The electronic and structural properties of pristine and carbon doped (C-doped) boron nitride nano-ribbons(BNNRs) have been studied employing density functional theory (DFT) calculations. Total energies, gapenergies, dipole moments, and quadrupole coupling constants (qcc) have been calculated in the optimizedstructures of the investigated BNNRs. The results indicated that the stability and gap ...
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ژورنال
عنوان ژورنال: Defence Technology
سال: 2019
ISSN: 2214-9147
DOI: 10.1016/j.dt.2018.08.005