Graphical matrices are presented. Their construction via selected sets of subgraphs and the replacement of subgraphs by numbers representing graph invariants are discussed. The last step of the procedure is to apply the method of choice for obtaining the desired double invariant from the graphical matrix in the numerical form. It is also pointed out that many so-called special graph-theoretical...

An extension of the transferable potentials for phase equilibria-united atom (TraPPE-UA) force field to acrylate and methacrylate monomers is presented. New parameters were fit to the liquid density, normal boiling point, saturated vapor pressure, and (where experimentally available) critical constants of 1,3-butadiene, isoprene, methyl acrylate, and methyl methacrylate using Gibbs ensemble Mon...

The pulsed electrical excitation of reactive metals like aluminum in water triggers a fast and highly energetic chemical reaction generating gaseous products. For applications such as fuses, safe explosives or fast gas generation, it is desirable to maximize the ratio of conductor mass to stored electrical energy while rapidly attaining a high resistive state. Various techniques have been used ...