Gas–Phase Studies of Spin–Spin Coupling Constants
نویسندگان
چکیده
منابع مشابه
Investigating the Effects of Molecular Oxygen Impurity on the Quadrupole Coupling Constants of Boron Nitride Nanotubes: Computational Studies
Density functional theory (DFT) calculations have been performed to investigating the effects of themolecular oxygen impurity on the quadrupole coupling constant (Qcc) parameters of armchair and zigzagboron nitride nanotubes (BNNTs). Optimization processes have been performed to relax the original andimpure structures of the investigated BNNTs. Afterwards, the Qcc parameters have been evaluated...
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ژورنال
عنوان ژورنال: International Journal of Molecular Sciences
سال: 2003
ISSN: 1422-0067
DOI: 10.3390/i4030135