The Robin problem for singular p-Laplacian equation in a cone

We study the behaviour near the boundary angular or conical point of weak solutions to the Robin problem for elliptic quasi-linear second-order equation with the p-Laplacian.     

An Efficient Method for Preparation of Trimethylsilyl Ethylene Oxide and Some Other Trimethysilyl Oxiranes

Trimethylsilyl ethylene oxide and other α,β-epoxysilanes were obtained from corresponding (trimethylsilyl)alkenes by an one-pot procedure involving successive treatment with N-bromosuccinimide and aqueous sodium hydroxide.     

Organothiol Monolayer Formation Directly on Muscovite Mica

Organothiol monolayers on metal substrates (Au, Ag, Cu) and their use in a wide variety of applications have been extensively studied. Here, the growth of layers of organothiols directly onto muscovite mica is demonstrated using a simple procedure. Atomic force microscopy, surface X‐ray diffraction, and vibrational sum‐frequency generation IR spectroscopy studies revealed that organothiols with various functional endgroups could be self‐assembled into (water) stable and adaptable ultra‐flat organothiol monolayers over homogenous areas as large as 1 cm². The strength of the mica–organothiol interactions could be tuned by exchanging the potassium surface ions for copper ions. Several of these organothiol monolayers were subsequently used as a template for calcite growth.     

2D NMR analysis of highly restricted internal rotation in 2-methylthio-3H-4-p-bromophenyl)-7-[(ortho- and para-substituted)-phenylthio]-1, 5-benzodiazepines

The complete assignments of twelve 4-aryl-7-thioaryl-1,5-benzodiazepines 1H and 13C spectra, performed with the use of high resolution variable solvent and temperature 1D and 2D techniques (e.g. HOMOCOSY, NOESY, HMQC and HMBC), lead to the determination of conformational equilibria between two rotamers having the aromatic ring of the thioaryl oriented in a perpendicular or helical orientation toward the benzodiazepine ring. The restricted rotation was evaluated from the population of these conformers.     

Ab initio dynamic correlation effects in density functional theories: a density based study for argon

In an attempt to get more insight into the links between the coverage of dynamic electron correlation effects defined in traditional wave function theories (WFT) by density functional theories (DFT) we have performed comprehensive studies for the Ar atom, for which the dynamic correlation effects play the dominant role. A density-based approach directly hinged on difference radial density (DRD) distributions defined with respect the Hartree-Fock radial density has been employed for analyzing the impact of dynamic correlation effects on the density. The DRD-distributions calculated by ab initio methods have been compared with their DFT counterparts generated for representatives of several generations of broadly used exchange-correlation functionals and for the recently developed orbital-dependent OEP2 exchange-correlation functional (Bartlett et al. in J Chem Phys 122:034104, 2005). For the local, generalized-gradient, and hybrid functionals it has been found that the dynamic WFT correlation effects on the density are to a significant extent accounted for by densities resulting from exchange-only calculations. It has been shown that the removal of self-interaction errors does not change this result. It has been demonstrated that the VWN5 and LYP correlation functionals do not represent any substantial dynamical correlation effects on the electron density, whereas these effects are well represented by the orbital-dependent OEP2 correlation functional. Critical comparison of the results of the present investigations with various published results obtained for more complex many-electron systems has been made. Attention has been paid to bringing into sharper relief the differences between the conclusions reached when using energy- or density-based criteria.     

Synthesis and dissolving power of 1-Alkyl-3-methylpyridinium-based ionic liquids

1-Alkyl-3-methylpyridinium-based ionic liquids with substituents from C₂ to C₁₀ and anions Cl^? and Br^? were synthesized, and their dissolving power toward the cellulose was investigated. The results of quantum-chemical calculations of molecules of ionic liquids are presented.     

Solvability of three point boundary value problems for second order differential equations with deviating arguments

The monotone iterative technique is used to boundary problems for second order ordinary differential equations with deviating arguments. Corresponding results are formulated when the problem has extremal solutions or weakly coupled extremal quasi-solutions.     

Existence of solutions for second order impulsive differential equations with deviating arguments

This paper deals with impulsive second order differential equations with deviating arguments. We investigate the existence of solutions of such problems with nonlinear boundary conditions. To obtain corresponding results we discuss also second order impulsive differential inequalities with deviating arguments.