stability of the π-π stacking interactions in the ben||n-substituted-coronene complexes was studied using the computational quantum chemistry methods (where ben is benzene and || denotes π-π stacking interaction, and n-substituted-coronene is coronene molecule which substituted with different number of n atoms). the results reveal simultaneous effects of structure and number of heteroatom on th...

Three charge density waves (CDWs), two of which are formed above room temperature, observed in the NbS 3 monoclinic phase (NbS -II). The and mobility high-field limit have been determined for each three CDWs this work using synchronization effect high-frequency fields. It has found that CDW is approximately equal to normal-state quasiparticles condensed it. Furthermore, correlation between temp...

C427 of the complexes has been investigated by theoretical calculations[2], but is still in controversy. Here we show the bonding nature of the 1zirconacyclopent-3-yne complex by means of experimental charge density analysis. Diffraction data were collected using synchrotron radiations at KEK PF-AR NW2 beam line by Rigaku Mercury CCD diffractometer up to sin / = 1.0 Å. Multipole expansion metho...

A six-coordinated iron(II) complex, t-Fe(tzpy)2(NCS)2 (tzpy = 3(2-pyridyl)[1,2,3]triazolo[1,5-a]pyridine), undergoes a graduate spin transition from a paramagnetic high spin state (T2, S = 2, HS-1) above 200K to a diamagnetic low spin state (A1, S = 0, LS-1) below 75 K according to the magnetic measurement. The crystal structures of both HS-1 and LS-1 are studied at 298 and 40K respectively. Si...

human serum albumin (hsa) is the most abundant plasma protein in the human body. hsa plays an important role in drug transport and metabolism. this protein has a high affinity to a very wide range of materials, including metals such as cu2+ and zn2+, fatty acids, amino acids and metabolites such as bilirubin and many drug compounds. in this study, we investigated the effects of co-amoxiclav, as...