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SiS |
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Sulfur |
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Nuclear
Quadrupole Coupling Constants |
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in Silicon Sulfide |
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Table 1. 33S
nqcc's in SiS (MHz). |
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Calc. [a] B3LYP/6-311G(3df,3p) model. |
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Calc. [b] B3LYP/TZV+(3df,3p) model. |
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Calc. [a]
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Calc. [b] |
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Expt. [1] |
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Xzz |
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10.81 |
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10.58 |
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10.90(20) |
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Bond length, re(SiS) = 1.9293141 Å [2]. |
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[1] J.Hoeft, F.J.Lovas, E.Tiemann, and T.Törring, J.Chem.Phys.
53,2736(1970). |
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[2] A. J.Hoeft, F.J.Lovas, E.Tiemann, and T.Törring, Z.Naturforsch.
24a,1422(1969). |
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CS |
GeS |
SiO |
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Table of Contents |
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Molecules/Sulfur |
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SiS.html |
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Last
Modified 26 Sept 2004 |
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