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G2 theory places (E)-2a 21.3 kcal/mol above la
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G2 theory places (E)-2a 21.3 kcal/mol above la.
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The GAUSSIAN 92 series of programs was used
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Gaussian 92, Revision A; Gaussian, Inc.: Pittsburgh, PA
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The GAUSSIAN 92 series of programs was used: Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin. R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian 92, Revision A; Gaussian, Inc.: Pittsburgh, PA, 1992.
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more..
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27
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85022580293
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21 is 0.022
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3
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3.
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29
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85022567833
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Chapter 3
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Sheldrick, W. S. In ref 2a, Chapter 3, pp 254–266.
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Walsh, R.1
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85022530330
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27b
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However, in these compounds the A1 is hypercoordinated while in 8 the silicon is low-valent. We are grateful to one of the referees for bringing this analogy to our attention
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27b However, in these compounds the A1 is hypercoordinated while in 8 the silicon is low-valent. We are grateful to one of the referees for bringing this analogy to our attention.
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32
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84931740335
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Comprehensive Coordination Chemistry
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Wilkinson, G., Gillard, R. D., McCleverty, J. A., Eds.; Pergamon Press: Oxford Chapter 25
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Taylor, M.J.1
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