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In this study, the stability of 2-methyl-1,3,2-diheterophosphinane 2-oxide conformers (heteroatom = O, S, Se) is investigated at the B3LYP/6-311+G(d,p) level of theory. The total energy, dipole moment, the energies of frontier orbitals, and HOMO-LUMO gaps of these molecules are calculated. The NBO analysis is applied to illustrate the hyperconjugative anomeric effect on the conformers. The responsible...