Kelling J. Donald

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A civic science curriculum is advocated. We discuss practical mechanisms for (and highlight the possible benefits of) addressing the relationship between scientific knowledge and civic responsibility coextensively with rigorous scientific content. As a strategy, we suggest an in-course treatment of well known (and relevant) historical and contemporary(More)
Connections between the structures of Group 12 dihalides in their vapor and crystal phases are sought and discussed. The molecular structures of all monomers and dimers (MX(2): M=Zn, Cd, Hg and X=F, Cl, Br, I) were calculated at the density functional B3PW91 and MP2 computational levels. All the monomers are linear, with the mercury dihalide molecules(More)
The existence and persistence of five-fold (quintuple) bonding in isomers of model RMMR molecules of quite different geometry are examined theoretically. The molecules studied are RMMR, with R = H, F, Cl, Br, CN, and CH3; M = Cr, Mo, and W. The potential energy surface of these molecules is quite complex, containing two, three, even four local minima. The(More)
The link between structural preferences in the monomers, dimers, and extended solid-state structures of the group 2 dihalides (MX(2): M = Be, Mg, Ca, Sr, Ba and X = F, Cl, Br, I) is examined theoretically. The question posed is how well are geometric properties of the gas-phase MX(2) monomers and lower order oligomers "remembered" in the corresponding MX(2)(More)
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