Metal–alkane binding energies have been calculated for [CpRe(CO)2](alkane) and [(CO)2M(C5H4)C'C(C5H4)M(CO)2](alkane), where M Re or Mn. Calculated binding energies were found to increase with the number of metal–alkane interaction sites. In all cases examined, the manganese–alkane binding energies were predicted to be significantly lower than those for the analogous rhenium–alkane complexes. Th...

objectives: the aim of this study was to evaluate the effect of conventional and high-power light emitting diode (led) light curing units on shear bond strength (sbs) of metal and ceramic brackets to tooth surface. materials and methods: forty sound bovine maxillary central incisors were used for the study. the teeth were divided into four groups (n=10). teeth surfaces were etched with 37% phos...

The bonding in monomeric and dimeric molecular compounds of Cr, Mo, W and U is explored using the Quantum Theory of Atoms-in-Molecules (QTAIM). The metal-ligand and metal-metal bond critical point properties ρb, ∇(2)ρb and Hb, and also the bond delocalisation indices δ(A, B), are correlated with the data from previous Ziegler-Rauk energy decomposition studies of the same systems. For M2X6 (M = ...

Using UV-VIS spectrophotometric method, the formation constant for interaction of Fe2+(aq) ion with L-Alaninewas experimentally studied at pH = 4.1 ± 0.01 (50mM of potassium hydrogen phthalate buffer), ionic strengthof 0.1M potassium nitrate and at 5 different temperatures 15,20, 25,30 and 35 T. The optical absorption spectraof mixtures containing considered cation and L-Alanine were analyzed b...

The growth of Ag clusters on preadsorbed oxygen and oxide-covered Mo~112! has been investigated using scanning tunneling microscopy ~STM!. The objective of these experiments is the synthesis of adjacent areas on a surface with distinctly different metal–support interactions in order to investigate the relationship between the morphology of a supported metal cluster and the strength of the clust...

AbstractInteraction of Ni complex(Salen= N, N´-ethylene bis(salicylideneimine)) with hen egg-white lysozyme (HEWL) was studied by absorption spectroscopy, competitive binding study and thermal denaturation study. The protein binding affinity of Ni complex was found to be (3.0×103M−1). The binding plot obtained from the absorption titration data gives a binding constant of 2.4 (± 0.3)×103 M...

In the present study, the interactions of three different lithium species Li+, Li3+ and CH3Li with several different sites of the most stable tautomers of DNA nucleo-bases are presented. This investigation is based on the results of thermochemical properties, Quantum Theory of Atoms in Molecules (QTAIM) and Natural Bond Orbi...