AFiR method

Maeda S, Ohno K, Morokuma K. Systematic exploration of the mechanism of chemical reactions the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods. Phys Chem Chem Phys. 2013 15 3683-3701. 

The Kobayashi modification of the Mukaiyama aldol, in which lanthanide Lewis acids are used in aqueous solution, is a very attractive high-yielding green process, but the role of water is not understood.A computational smdy of the Eu +-catalysed reaction 0 between TMS cyclohexenolate and benzaldehyde seeks to probe the possibilities. Does water act as proton source Does it stabilize TMS dissociation Does it stabilize the syn-TSl These questions are addressed and answered using the AFiR method (artificial force-induced reaction) to probe the energy surfaces for the two most likely europium clusters, [Eu(H20)g] and [Eu(H20)9]. ... 

Field models estimate the fire environment in a space by numerically solving the conservation equations (i.e., momentum, mass, energy, diffusion, species, etc.) as a result of afire. This is usually accomplished by using a finite difference, finite element, or boundary element method. Such methods are not unique to fire protection they are used in aeronautics, mechanical engineering, structural mechanics, and environmental engineering. Field models divide a space into a large number of elements and solve the conservation equations within each element. The greater the number of elements, the more detailed the solution. The results are three-dimensional in nature and are very refined when compared to a zone-type model. 

Shelter-in-Place (SIP) a method of protection in which instead of escaping from afire risk, toxic vapors, radiation, etc. (because avenues of escape are unavailable or time consuming to teach) an individual protects themselves in the immediate vicinity to avoid injury such as in an adequately protected structure or building. Shelter-in-place carmot be utilized where available oxygen supplies are insufficient or cannot be isolated from contaminants... 

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