The dipole moment of HCN in the crystal
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D.G. Bounds; A. Hinchliffe; R.W. Munn; R.J. Newham
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Article
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1974
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Elsevier Science
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English
β 309 KB
Ab initio molecular orbi'c31 &xl&ions on +Jc isolated HCN molecule in axial electric fields have been used in wn~unction with local fie!d theory to estimate that the effective dipole of ECN in its two crystalline forms is some 50% tiger than in the gas phase. i '.