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GeH |
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Germanium |
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Nuclear
Quadrupole Coupling Constants |
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in Germanium Hydride Radical |
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Table 1. 73Ge
nqcc's in GeH Radical (MHz). |
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Calc. [a] B3P86/6-311G(2d) model. |
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Calc. [b] B3PW91 /6-311G(2d) model. |
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Calc. [a]
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Calc. [b] |
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Expt. [1] |
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eQq1 |
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158.81 |
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158.92 |
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158.9(76) |
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Bond length, re(GeH) = 1.588 Å [2]. |
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[1] J.M.Brown, K.M.Evenson, and T.J.Sears, J.Chem.Phys. 83,3275
(1985). |
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[2] K.P.Huber and G.Herzberg, Constants of Diatomic Molecules, Van
Nostrand-Reinhold, New York, 1979. |
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Table of Contents |
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Molecules/Germanium |
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GeH.html |
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Last
Modified 7 Oct 2004 |
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