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- W2023262530 abstract "The energy and many important one-electron properties of the nitric oxide molecule in the ground state (X 2II) have been evaluated at various internuclear separations near the equilibrium geometry, using the direct CI method and the Graphical Unitary Group (GUG) method at both single- and multi-reference level. The one-electron properties thus obtained (and vibrationally averaged using Dunham analysis) include the electric field gradients (at both the O and N nuclei) and the multipole moments from dipole to hexadecapole moment (all with respect to the centre of mass)." @default.
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- W2023262530 date "1981-02-10" @default.
- W2023262530 modified "2023-09-25" @default.
- W2023262530 title "SCF-CI calculations of the potential energy curve and one-electron property curves of theX1II ground state of NO" @default.
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- W2023262530 doi "https://doi.org/10.1080/00268978100100311" @default.
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