The feasibility of edge-functionalization of graphite was tested via the model reaction between pyrene and 4-(2,4,6-trimethylphenyloxy)benzamide (TMPBA) in poly(phosphoric acid) (PPA)/phosphorous pentoxide (P(2)O(5)) medium. The functionalization was confirmed by various characterization techniques. On the basis of the model study, the reaction condition could be extended to the edge-functional...

Solid-state 185/187 Re NMR spectral evidence for the origin of high-order quadrupole-induced eff ects HOT ARTICLE Dolnik et al. Locking of Turing patterns in the chlorine dioxide–iodine–malonic acid reaction Definitive solid-state 185/187 Re NMR spectral evidence for and analysis of the origin of high-order quadrupole-induced effects for I = 5/2w Rhenium-185/187 solid-state nuclear magnetic res...

To solve crack problems, some coupled methods have been developed in recent years. Most of these methods have some shortcomings such as the need for a transition region. The finite element and enriched element free Galerkin methods are widely used for this class of problems. In order to take the advantages of these methods while avoiding the disadvantages, it is essential to follow solution app...

Achieving stable, accurate, monotone and efficient (SAME) discrete approximate solution is of tremendous interest for convection-dominated computational fluid dynamics (CFD) applications. Recently, a non-linear SubGrid eMbedded (SGM) finite element basis was developed for generating multidimensional SAME solutions via the weak statement (WS). The theory confirms that only the Navier-Stokes diss...

Efficient and accurate path-sensitive analyses pose the challenges of: (a) analyzing an exponentially-increasing number of paths in a control-flow graph (CFG), and (b) checking feasibility of paths in a CFG. We address these challenges by introducing an equivalence relation on the CFG paths to partition them into equivalence classes. It is then sufficient to perform analysis on these equivalenc...

There is no generally accepted scientific theory for the cause of adolescent idiopathic scoliosis (AIS). As part of its mission to widen understanding of scoliosis etiology, the International Federated Body on Scoliosis Etiology (IBSE).introduced the electronic focus group (EFG) as a means of increasing debate on knowledge of important topics. This has been designated as an on-line Delphi discu...

Accurate, yet simple and efficient, formulae are presented for calculation of the electrostatic potential (ESP), electric field (EF) and electric field gradient (EFG) from the aspherical Hansen-Coppens pseudoatom model of electron density [Hansen & Coppens (1978). Acta Cryst. A34, 909-921]. They are based on the expansion of |r' - r|(-1) in spherical harmonics and the incomplete gamma function ...