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• W2029486142 abstract "Abstract The electromagnetic non-bonded interactions of BN ( - , 0 , + ) B molecule as a quantum rotor inside several of BnNn molecular rings as a stator has been investigated by using EPR-II and EPR-III basis sets. Optimized structures, relative stability and hyperfine spectroscopic parameters, have been calculated. In this study, we have shown that the BnNn–BNB systems can be works as a nano rotor–stator molecular motor for the biological systems. Although in our previous works, we have discussed (Monajjemi et al. (2010) [20] and Monajjemi and Boggs (2013) [18] ) of the stability and electromagnetic properties of some kind of BnNn rings, using of these systems as a detector are much more significant and have investigated in this work. The study for the BnNn– BN ( - , 0 , + ) B systems and then for Adenine–Thymine and Guanine–Cytosine base pairs coupled with BN ( - , 0 , + ) B inside the BnNn (n = 8, 12, 15, 16, 18, 20, 24) have been investigated. Three quantized rotational frequencies in cationic, radical, and anionic forms have been calculated and all frequencies appeared in the IR rotational region." @default.
• W2029486142 created "2016-06-24" @default.
• W2029486142 creator A5018422073 @default.
• W2029486142 date "2013-11-01" @default.
• W2029486142 modified "2023-10-17" @default.
• W2029486142 title "Non bonded interaction between BnNn (stator) and (rotor) systems: A quantum rotation in IR region" @default.
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• W2029486142 doi "https://doi.org/10.1016/j.chemphys.2013.07.014" @default.
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