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LiF |
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Lithium |
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Nuclear
Quadrupole Coupling Constants |
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in Lithium Fluoride |
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Table 1. Lithium nqcc's in LiF (MHz). |
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Calc. |
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Expt. |
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7Li |
eQqo |
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0.4202 |
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0.4156(4) [1] |
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eQqe |
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0.420792(34) [2] |
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Bond
Length, re = 1.563884(15) Å [3] |
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[1] A.J.Herbert and C.D.Hollowell, J.Chem.Phys. 65,4327(1976). |
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[2] J.Cederberg, D.Olsen, P.Soulen, K.Urberg,
H.Ton, T.Steinbach, B.Mock, K.Jarausch, P.Haertel, and M.Bresnahan, J.Mol.Spectrosc.
154,43(1992). |
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[3] F.J.Lovas and E.Tiemann, J.Phys.Chem.Ref.Data
3,609(1974). |
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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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LiH |
LiCl |
LiBr |
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LiNC |
Li2 |
LiOH |
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NaF |
KF |
LiBH4 |
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Table of Contents |
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Molecules/Lithium |
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LiF.html |
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Last
Modified 6 Dec 2004 |
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