This paper presents a framework of using resource metrics to characterize the various models of parallel computation. Our framework reeects the approach of recent models to abstract architectural details into several generic parameters, which we call resource metrics. We examine the diierent resource metrics chosen by diierent parallel models, categorizing the models into four classes: the basi...

This article is a survey of hardware and software advances that promise to increase the power and sensitivity of electron energy-loss spectroscopy (EELS) and energy-filtered imaging (EFTEM) in a transmission electron microscope. Recent developments include electron-gun monochromators, lens-aberration correctors, and software for spectral sharpening, spectral processing and interpretation of fin...

The ground state structure of C(4N+2) rings is believed to exhibit a geometric transition from angle alternation (N < or = 2) to bond alternation (N > 2). All previous density functional theory (DFT) studies on these molecules have failed to reproduce this behavior by predicting either that the transition occurs at too large a ring size, or that the transition leads to a higher symmetry cumulen...

For the first time, the nuclear magnetic resonance (NMR) spin-spin coupling mechanism is decomposed into one-electron and electron-electron interaction contributions to demonstrate that spin-information transport between different orbitals is not exclusively an electron-exchange phenomenon. This is done using coupled perturbed density-functional theory in conjunction with the recently developed...

Activators regenerated by electron transfer (ARGET) atom radical polymerization (ATRP)-based aqueous miniemulsion where the takes place in stabilized monomer droplets is described. In this work, we compared styrene, n-butyl methacrylate (nBMA) and tert-butyl (tBMA) investigated influence of their hydrophobicity on dispersity, molecular weight particle stability based partition coefficients (log...

The photoexcited triplet states of a series of linear and cyclic butadiyne-linked porphyrin oligomers were investigated by transient Electron Paramagnetic Resonance (EPR) and Electron Nuclear DOuble Resonance (ENDOR). The spatial delocalization of the triplet state wave function in systems with different numbers of porphyrin units and different geometries was analyzed in terms of zero-field spl...

We readdress the well-known nephelauxetic effect in coordination compounds of transition metal ions and analyze its possible origins presented in the literature. The initial hypothesis was to ascribe the reduction of the effective Racah parameters B and C of the electron–electron interaction in the complexes as compared to their respective free ion values (which is the essence of the nephelauxe...