Trees as Brelot spaces

A Brelot space is a connected, locally compact, noncompact Hausdorff space together with the choice of a sheaf of functions on this space which are called harmonic. We prove that by considering functions on a tree to be functions on the edges as well as on the vertices (instead of just on the vertices), a tree becomes a Brelot space. This leads to many results on the potential theory of trees. By restricting the functions just to the vertices, we obtain several new results on the potential theory of trees considered in the usual sense. We study trees whose nearest-neighbor transition probabilities are defined by both transient and recurrent random walks. Besides the usual case of harmonic functions on trees (the kernel of the Laplace operator), we also consider as “harmonic” the eigenfunctions of the Laplacian relative to a positive eigenvalue showing that these also yield a Brelot structure and creating new classes of functions for the study of potential theory on trees.     

A theoretical study of some possible alkyllithium hexamers

Using ab initio SCF calculations we optimized three possible structures of hexameric methyllithium each having a near octahedral geometry of lithium atoms with capping methyl groups. The isomer in which the vacant faces of the octahedron are trans to each other is the most stable. The alternative structure with the vacant faces in apical contact is 8.8 kcal/mol (6-31G^*//4-31G) higher in energy while the edge contact isomer is 26.3 kcal/mol more energetic than the trans structure. The methyl groups were found not to be faced centered. These results are rationalized electrostatically.