Results of the Hartree-Fock-Wigner correlation model for diatomic molecules with light atoms (H 2 , LiH, Li 2 , F 2 , He 2 , Ne 2 ) using two different atomic parametrizations and one molecular parametrization of the correlation kernel are presented and interpreted in terms of Wigner intracules as well as differences thereof. The molecular parametrization yields encouraging results for simple systems exhibiting covalent or ionic bonding. However, similar to the purely atomic parametrizations severe overestimations of the attractive interaction in van der Waals systems is observed. It is argued that the remaining shortcommings partly result from the restriction of the currently used correlation kernel to be symmetric in relative position and relative momentum.
The simplest side group: The first example of a completely H‐substituted polyphosphazene I is obtained by the polycondensation of (Me2N)2PNH2 in solution at low temperature. NMR investigations and light‐scattering experiments substantiate the constitution of the polymer. The conformation and a reaction pathway to I are proposed on the basis of ab initio calculations.
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