Soft functionality, functional

One approach has been to define nuclear softness functions, cja, and nuclear reactivity indices,... 

Thus, one can see that within the framework provided by density functional theory, the basic equations for the description of a chemical event, Eqs. (4) and (7), may be expressed in terms of basic variables such as the chemical potential (electronegativity), the chemical hardness and the fukui function (frontier orbitals). In fact, through this approach one may introduce a coherent quantitative language of hardness and softness functions which are nonlocal, local, and global [29]. The global softness is given by... 

Three methods have been developed to introduce functionality at the macromolecular level. These are (a) by the use of cx ganic side groups that have "soft" functionality, (b) by the reactions of "unreactive" polyphosphazenes with aggressive reagents, and (c) via protection-deprotection reactions. These will be considered in turn. 

Thus far, one can see that the definitions of softness functions appear in a natural way when the difference between two Euler-Lagrange equations is considered. Loeal hardness [28] and global hardness [12, 28] will be discussed in the next section to complete the set of hardness functions. 

Just as in the case of the softness functions, where integration of the kernel leads to local and global quantities, one may introduce local and global hardnesses through integrals of r (r, r ). Thus, the local hardness has been defined as [28]... 

These expressions fulfill the condition of being, in each case, the inverse of the corresponding softness function. That is [23],... 

In summary, one can see that density functional theory provides a coherent quantitative language of hardness and softness functions that may be classified as non-local, local and global reactivity indexes. 

The fundamental equations to describe the change from one ground-state to another provide a solid basis for defining hardness and softness functions hierarchized as non-local, local and global quantities. 

Li JL, Liu XY Microengineering of soft functional materials by controlling the fiber network formation. JPhys ChemB. 113(47) (2009) 15467-15472. 

Liu. X.Y. Sawant, P.D. Mechanism of the formation of self-organized microstructures in soft functional materials. Adv. Mater. 2002. 14. 421. 

Fukushima, T, and Aida, T. (2007], Ionic liquids for soft functional materials with carbon nanotubes. Chem. Eur.]., 13, pp. 5048-5058. 

The former technique is preferable with functions that need robust algorithms. The latter technique is better for relatively soft functions. 

Conzuelo LV, Arias-Pardilla J, Caitich-Rodriguez JV, Smit MA, Otero TF (2010) Sensing and tactile artificial muscles from reactive materials. Sensors (Basel) 10 2638-2674 Foroughi J, et al (2011) Torsional carbon nanotube artificial muscles. Science 334 494-497 Fukushima T, Aida T (2007) Ionic liquids for soft functional materials with carbon nanotubes. 

ANO = atomic natural orbital (basis set) aug-cc-pVnZ = augmented cc-pVnZ basis set (i.e., including soft anion functions) aug -cc-pVnZ = ditto, but excluding soft functions on hydrogen cc = correlation consistent (basis sets) cc-pVnZ = correlation consistent polarized valence n-tuple zeta basis set cc-pCVnZ = as cc-pVnZ, but with core-correlation functions... 

The book covers subjects related to important soft functional materials that have fibrous network structures. The materials include small-molecule physical... 

The preparation of flocked fabric using acryflc adhesives is detailed in Reference 198. In flocking, cut fibers are bonded to an adhesive-coated fabric to achieve both a decorative and a functional effect. Acrylics can be tailored to provide the unique balance between softness and durability required for this... 

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