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- W1999202327 abstract "The diamagnetic susceptibilities of the C2H2 and HCN molecules have been calculated by use of the MO wave-functions with a minimal basis set by Palke and Lipscomb, and those with an extended basis set by McLean and Yoshimine. For the paramagnetic term of the susceptibility of C2H2, the value derived from the rotational magnetic moment is used, but for HCN the value interpolated from the paramagnetic terms of C2H2 and N2 is adopted. The magnetic anisotropies (Δχ = χ - χ⊥) obtained are about −8 × 10−6 emu mole−1 for both C2H2 and HCN, and also nearly equal to the anisotropy of N2 established already. The results are discussed in connection with NMR chemical shifts." @default.
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- W1999202327 date "1972-04-01" @default.
- W1999202327 modified "2023-09-27" @default.
- W1999202327 title "Magnetic anisotropies of C2H2 and HCN molecules" @default.
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- W1999202327 doi "https://doi.org/10.1016/0009-2614(72)80078-2" @default.
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