Limited-availability monomer sets

Expanding Diversity of Other Limited-availability Monomer Sets... 

Most of the common acrylic esters may be homopolymerized by relatively simple procedures. Variations in the methods may be made because of requirements related to the final application of the polymer, limitations set by available laboratory equipment, the reactivity of the monomers, and the physical state of the monomer or of the polymer. 

Reinforced health surveillance is foreseen and the practical recommendations for the health surveillance are given in Annex II. Annex III sets limit values on the basis of the available information, including scientific and technical data. At present, Annex in includes only limit values for benzene, vinyl chloride monomer and inhalable hardwood dust. 

However, this procedure involves an inconsistency. When the monomer energy A( fA ) is calculated, the electrons of A have available to themselves only the 3-21G orbitals on the three atoms of A, whereas, when eAB( fA + fB ) is calculated, the electrons of each H2O molecule within the dimer have available not only the orbitals on their own nuclei, but also the orbitals on the nuclei of the other H2O molecule. In effect, the dimer basis set is larger than that of each monomer, and this produces an artificial lowering of the dimer energy relative to that of the separated monomers. This artificial lowering is called the basis-set superposition error (BSSE). The BSSE would vanish in the limit of using a complete set for each monomer. The most often used procedure to correct for the BSSE is to calculate the dimerization energy as... 

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