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NaCl |
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Sodium and Chlorine |
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Nuclear
Quadrupole Coupling Constants |
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in Sodium Chloride |
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Table 1. Sodium
and Chlorine nqcc's in NaCl (MHz). |
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Calc. |
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Expt. [1] |
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23Na |
eQqe |
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5.623 |
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5.7062(38) |
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eQqo |
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5.6698(60) |
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35Cl |
eQqe |
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5.5599(38) |
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eQqo |
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5.6468(60) |
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Bond
Length, re = 2.360778197(372) Å [2] |
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[1] F.H.deLeeuw, R.vanWachem, and A.Dymanus, J.Chem.Phys.
53,981(1970). |
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[2] M.Caris, F.Lewen, H.S.P.Müller,
and G.Winnewisser, J.Mol.Struct. (2004). |
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"Nuclear quadrupole coupling constants in
alkali halide molecules: an ab initio quantum chemical study"
G.B.Bacskay and A.D.Buckingham, Mol.Phys. 91,391(1997). |
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NaF |
NaBr |
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LiBr |
KBr |
AlBr |
GaBr |
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LiCl |
KCl |
AlCl |
GaCl |
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Table of Contents |
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Molecules/Sodium |
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Molecules/Chlorine |
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NaCl.html |
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Last
Modified 6 Dec 2004 |
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