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- W1969131646 abstract "Nuclear quadrupole coupling constants of 35Cl observed in a series of chloroacetylenes are compared with results from quantum-chemical estimates of different degree of refinement. The correlation with values calculated by an iterative Extended Hückel procedure in the Townes-Dailey approximation is bad. It can be strikingly improved by introducing a correction proportional to the net charge on the carbon atom adjacent to the Cl-atom. The correlation is then of the same quality as with ab initio calculations by Straub & McLean." @default.
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- W1969131646 date "1971-11-01" @default.
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- W1969131646 title "Kernquadrupolresonanz von35Cl in Chloracetylenen" @default.
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- W1969131646 doi "https://doi.org/10.1002/hlca.19710540733" @default.
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