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NaCl (VWR BDH Prolabo), adenine (AD) (Sigma Aldrich), salicylaldoxime (SA) (Sigma Aldrich) and 4(5)-methylimidazole (4-(5)-MI) (Sigma Aldrich) were used for the preparation of suitable solutions in this investigation. The effect of brass pretreatment in aqueous inhibitor solution (5·10...
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Download: Download full-size image Fig. 1. Crystal structures of (a) h-B1-xAlxN with x = 0.245 and (b) w-B1-xAlxN with x = 0.22. The average lattice constants of all B1-xAlxN with the same x are adopted. Ideally, the lattice constants of BAlN as a function of x follows the ...
On the contrary, trehalose is a nonreducing disaccharide of glucose because there is not a free hemiacetal unit but there is an acetal linkage between their anomeric centers, giving a structure without one free hemiacetal unit to act as reducing agent. In relation to the descriptors, it is ...
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Table 1. Dihedral angles in degrees, binding energies (BE, kcal/mol), binding enthalpies (ΔH, kcal/mol), deformation energies (Def, kcal/mol) of the complexed W254 with respect to the free W254, and relative energies (Rel, kcal/mol) of the complexes at M062X/6-311+G(d,p). ...
However, the free-energy differences (∆G) between TS-1 and TS-2 (0.5 kcal/mol), and between 9a-1 and 9a-2 (1.51 kcal/mol) are small, explaining the lack of regioselectivity when the 1,3-dipolar cycloaddition reaction of 7 and 8a is carried out without any catalyst. The geometries...