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- W4206001248 abstract "Theoretical treatment of 1-amidino-O-(n-butyl)urea (ABnUH) have been performed by DFT/B3LYP with 6-311++ G (d,p) basis set using Gaussian 09W. The compound has been analyzed on the basis of electronic structure, hybridization of the atoms, charge delocalization, hyper-conjugative interactions, vibrational modes, etc. NBO analysis was performed to figure out any charge transfer among the localized bond and lone pair of the proposed compound." @default.
- W4206001248 created "2022-01-25" @default.
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- W4206001248 date "2021-01-01" @default.
- W4206001248 modified "2023-10-16" @default.
- W4206001248 title "Computational Exploration of 1-Amidino-O-(n-butyl) Urea (ABnUH) with Natural Atomic Orbitals, Natural Bond Orbital, Vibrational Analysis and Simulated UV-Visible Spectra" @default.
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- W4206001248 doi "https://doi.org/10.14233/ajchem.2021.23438" @default.
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