Starting atom pair selection

Perception of substructure isomorphism. After all starting atom pairs that are chosen using method 2 (see Selection of Starting Atom Pairs subsection below) have been tried and the number of atoms of the largest MCSS candidate is equal to that of the smaller structure, all MCSSs have been detected and the search terminates. 

For general MCSS problems, all atoms having three or more neighbor atoms are selected from the two structures to form starting atom pairs. The symmetry information available is used to reduce the number of possible starting atom pairs. 

For colored graph matching problems, all other atom properties, such as atom types and hybridizations, are also taken into account during the selection of starting atom pairs. 

Since the starting structure and the initial atom pair was casually selected, distance matrix generation and random metrization should be performed several times in order to get an ensemble of metric matrices. 

A very interesting optical cooling technique starts with the selective excitation of a collision pair of cold atoms into a bound level in an upper electronic state (Fig. 9.17). While this excitation occurs at the outer turning point of the upper-state potential, a second laser dumps the excited molecule down into a low vibrational level of the electronic ground state by stimulated emission pumping (photo-induced association). In favorable cases the level u = 0 can be reached. If the colliding atoms... 

We have generated by molecular dynamics a serie of trajectories of the fall of the solute towards the interface. The procedure is the following starting from a configuration of a equilibrated A-B mixture, we select a pair in liquid A (B) of atoms whose relative distance is (T to within 5%, and whose center of mass is between -2l and... 

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