Lowest energy configuration

Symmetrical transition states are the lowest energy configuration within that symmetry. If a geometry optimization starts off within that symmetry, then the calculation can find the transition state. 

The search for glycine in ISM started about 30 years ago when the first laboratory spectra became available. Glycine can exist in three configurations. Radioastronomers have concentrated their search on the lowest-energy configuration I and the next highest II, which has a larger dipole moment (Snyder, 1997). 

Quantum theory assigns the electrons surrounding the nucleus to orbitals, which should not be confused with the orbits of the solar system. Each orbital has a characteristic energy and a three-dimensional shape. An atom in the lowest energy configuration is said to be in its ground state. For this... 

In the experiments of Weinstein and Firestone [26], it was shown that the spectrum of the electron in mixed solvents depends on the mixture of the two components, for example, an alcohol and an ether. If complete relaxation were possible, one would expect that the solvent molecules would interchange and the result would be the lowest energy configuration. This does not appear to occur. 

For the anion s lowest energy configuration, the orbital occupancy ai2e2 must be considered, and hence the spatial and spin symmetries arising from the e2 configuration are of interest. The character table shown below... 

Nitrenium ions are isoelectronic to carbenes [177]. They contain a dicoordinated nitrogen atom formally with two valence electrons. The possible electronic structures of the parent nitrenium ion NHj are shown in Figure 7.9. On the basis of Hiickel MO theory one would expect that the lowest energy configuration, that is, the electronic ground... 

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