Minima global

Nj units [113]. There is a conunon recognition that open chain hexaazadiazide lies on the global minima of the potential energy surface. 

The reaction coordinates are in principle similar. But there are two main differences. First, silaoxiranylidene 81 is — as also shown experimentally — more stable than the planar silaketene 80. The opposite is true for the system 74/78. Second, the global minima are different formylcarbene 75 leads, via a small barrier, to ketene 74, and formylsilylene (82) gives, in accordance with experiment107, the pyramidal H2Si-CO complex 83. 

Complexation of HC C-EHs (E is C, Si, or Ge) to Ni and Cu differs from the alkene complexation in that conventional 7i-complexes are the global minima for all the elements However, when E = Si or Ge, the agostic complexes... 

This increases the probability of sampling the global minimum at a temperature where the free energy barriers between the funnel leading to the global minima and other funnels may be crossed. 

Figure 1. Low-energy isomers of Na(3p)Arn clusters, obtained on the lowest 3p PES. Isomers labeled (a) are global minima, isomers (a ) have higher energies.

Figure 2. Orbital contour plots for the global minima isomers (a) of Na(3p)Ar clusters.

---