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Density functional (ca, BLYP, BPW91, B3LYP and B3PW91), MP2 and CCSD(T) methods in combination with LANL2DZ or cc-pVxZ-PP (where x=D(double), T(triple) Q(quadruple), and 5(quintuple)) basis sets have been employed in computing electronic transition energies of zinc and cadmium monomers. CCSD(T)/aug-cc-pV5Z-PP combination finds values that are 150 cm-1 from the experimental value for the zinc monomer and 240 cm-1 remove from the cadmium monomer excitation experimental value. These method/basis set combinations are also used to find spectroscopic values (re, De, we, wexe, Be , and Te) that rival experimental values for dimers and excimers. Examples of this can be seen with the CCSD(T)/aug-cc-pV5Z-PP combination phosphorescent emission results. The values found are within 120 cm-1 of the zinc emission energy and 290 cm-1 of the cadmium emission energy. While this combination rigorously models spectroscopic constants for monomers, dimers, and excimers, it does not efficiently model these constants for larger clusters with available modern computational resources. It is important to show spectroscopic trends (bonding, phosphorescent excitation and emissions) as clusters increase as the monomer and dimer emission energies do not model solid state metallophilic interactions and phosphorescence. The MP2/LANL2DZ combinations show qualitative cooperative bonding trends in group oligomers and extended excimers as size increases and shape change. Changes in excitation and emission energies are also shown as a function of size and shape of the clusters.

This research study investigates the effect of micronized copper azole type C (MCA-C) preservative system on the rolling shear (RS) properties of CLT. In the first part of research, bonding performance of CLT panels treated at two retention levels, 0.96 kg/m3 and 2.5 kg/m3, were evaluated. Three structural adhesive systems, melamine formaldehyde (MF), resorcinol formaldehyde (RF) and one-component polyurethane (1C-PUR) were used to assemble visually graded No. 2 2×6 southern yellow pine (SYP) lumber while manufacturing CLT panels. For treated CLT panels, 1C-PUR provides better bonding performance test results. The RS properties of MCA-C treated CLT panels were studied in the second part of the research. The CLT panels were subjected to out-of-plane loading according to the EN 16351 standard. The mean values of RS strength and modulus of treated CLT were 1.89 MPa and 289.4 MPa respectively.