3,296 research outputs found
Tetraaqua{1-[(1H-1,2,3-benzotriazol-1-yl)methyl]-1H-1,2,4-triazole}sulfatocobalt(II) dihydrate
In the title complex, [Co(SO4)(C9H8N6)(H2O)4]·2H2O, the CoII ion is six-coordinated by one N atom from a 1H-1,2,3-benzotriazol-1-yl)methyl]-1H-1,2,4-triazole ligand, one O atom from a monodentate sulfate ligand and four water molecules in a slightly distorted octahedral geometry. The sulfate ligand is rotationally disordered over two sets of sites with refined occupancies of 0.662 (15) and 0.338 (15). In the crystal, complex molecules and solvent water molecules are linked through intermolecular O—H⋯O and O—H⋯N hydrogen bonds into a three-dimensional network
First-Principles Calculation of Principal Hugoniot and K-Shell X-ray Absorption Spectra for Warm Dense KCl
Principal Hugoniot and K-shell X-ray absorption spectra of warm dense KCl are
calculated using the first-principles molecular dynamics method. Evolution of
electronic structures as well as the influence of the approximate description
of ionization on pressure (caused by the underestimation of the energy gap
between conduction bands and valence bands) in the first-principles method are
illustrated by the calculation. Pressure ionization and thermal smearing are
shown as the major factors to prevent the deviation of pressure from global
accumulation along the Hugoniot. In addition, cancellation between electronic
kinetic pressure and virial pressure further reduces the deviation. The
calculation of X-ray absorption spectra shows that the band gap of KCl persists
after the pressure ionization of the electrons of Cl and K taking place at
lower energy, which provides a detailed understanding to the evolution of
electronic structures of warm dense matter
6-Methoxy-2-[(E)-phenyliminomethyl]phenol
The title compound, C14H13NO2, was obtained by the condensation reaction of o-vanillin and aniline in ethanol. The molecule adopts the phenol–imine tautomeric form and an E conformation with respect to the azomethine C=N bond. The dihedral angle between the aromatic rings is 30.57 (10)°. In the crystal, molecules are linked by intermolecular C—H⋯O hydrogen bonds into zigzag chains parallel to the b axis
Tris{2-methoxy-6-[(4-methylphenyl)iminiomethyl]phenolato-κ2 O,O′}tris(thiocyanato-κN)cerium(III)
The asymmetric unit of the title compound, [Ce(NCS)3(C15H15NO2)3], contains three Schiff base 2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol (HL) ligands and three independent thiocyanate ions that coordinate the cerium ion via their N atoms. The protonated imine N atoms are involved in an intramolecular hydrogen bond with the respective phenoxide group. The Ce(III) ion exhibits a coordination number of nine
Tetraaqua{1-[(1H-1,2,3-benzotriazol-1-yl)methyl]-1H-1,2,4-triazole}sulfatocadmium dihydrate
In the title complex, [Cd(SO4)(C9H8N6)(H2O)4]·2H2O, the CdII ion is six-coordinated by one N atom from a 1-[(1H-1,2,3-benzotriazol-1-yl)methyl]-1H-1,2,4-triazole ligand and by five O atoms from four water molecules and one monodentate sulfate anion in a distorted octahedral geometry. The sulfate tetrahedron is rotationally disordered over two positions in a 0.651 (12):0.349 (12) ratio. In the crystal, adjacent molecules are linked through O—H⋯O and O—H⋯N hydrogen bonds into a three-dimensional network
Changes in gender wage differentials in China: a regression and decomposition based on the data of CHIPS1995–2013
Following the enactment of the Labour Law in 1995, China’s urban labour market witnessed a divergence in both gender wage gap and discrimination against female workers before 2007, and thereafter a convergence in both. Contributions of endowment differentials between male and female workers to wage gap were diminishing because of the consistent improvement in the female workers’ endowments. Discrimination against women, on the other hand, kept increasing and exceeded that of endowment differentials and eventually became the dominating contributor by 2002. Driven by the optimisation of female workers’ endowments, the execution of new labour market legislation, the transformation of previously limitless labour supply into shortage, as well as the reform of income distribution policies, a long-term trend of convergence in both gender wage gap and discrimination has been forming. China has been striding forward into a society with more equity and justice ever since 2007
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