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The calculation of dipole moments associated with defects in ionic crystals

โœ Scribed by Corish, J.; Fitzsimons, P. B.; Jacobs, P. W. M.


Book ID
121190183
Publisher
Taylor and Francis Group
Year
1987
Tongue
English
Weight
685 KB
Volume
56
Category
Article
ISSN
0141-8610

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The dipole moment of HCN in the crystal
โœ D.G. Bounds; A. Hinchliffe; R.W. Munn; R.J. Newham ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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 '.