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- W4254915836 abstract "Density Functional Theoretical (DFT) studies on the biologically active oxime ether derived from 1,3-dimethyl-2,6-diphenylpiperidin-4-one has been carried out. Various quantum chemical parameters of the molecule viz. molecular geometry, Highest Occupied Molecular Orbital – Lowest Unoccupied Molecular Orbital (HOMO–LUMO) energies, Non-Linear Optical (NLO) properties, Mulliken atomic charge distribution were obtained theoretically and compared with the single crystal data. An insight into the structure and property correlation revealed the probable behavior of the molecule studied" @default.
- W4254915836 created "2022-05-12" @default.
- W4254915836 date "2019-12-30" @default.
- W4254915836 modified "2023-10-14" @default.
- W4254915836 title "Computational Aspects of (E)-O-Carbomethoxy Methyl Oxime Ether of 1,3-Dimethyl-2,6-Diphenylpiperidin-4-One" @default.
- W4254915836 doi "https://doi.org/10.35940/ijitee.b1169.1292s219" @default.
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