For many types of vertical excitation energies, linear-response time-dependent density functional theory (LR-TDDFT) offers a useful degree accuracy combined with unrivaled computational efficiency, although charge-transfer energies are often systematically and dramatically underestimated, especially for large systems those that contain explicit solvent. As result, low-energy electronic spectra ...

The aim of this work was to investigate changes in molecular form and surface charge of black carbon (BC) due to longterm natural oxidation and to examine how climatic and soil factors affect BC oxidation. Black C was collected from 11 historical charcoal blast furnace sites with a geographic distribution from Quebec, Canada, to Georgia, USA, and compared to BC that was newly produced (new BC) ...

In recent years the field of Natural Language Processing (NLP) has seen a renew interest on the analysis of nonfactual, emotional discourse characterized by the presence of affective language and sentiments, and charged with subjectivity. One area which has not been properly investigated, however, is that of natural language processing in the field of psychology and more specifically to the ana...

In this study, the adsorption of 4-hydroxy phenyl-azobenzene on the surface of (4, 0) zigzag open-end boron nitride nanotube (BNNT) has been investigated by quantum calculations. In order to find the preferred adsorption site, different positions and orientations were considered. The impacts of donor-acceptor electron delocalization on the structural and electronic properties and reactivity of ...

In this study, B12N12 Nano ring has been selected because it consist of four 6-side rings and polar bonds B-N which in comparison with non-polar bonds C-C, is more suitable for the study of the absorption of other compounds. So reactivity and stability of Benzene alone and in the presence B12N12 nano ring field checked. To determine the non-bonded interaction energies between Benzene and B12N12...

The hole-doped cuprate high-temperature superconductors enter the pseudogap regime as their superconducting critical temperature, Tc, falls with decreasing hole density. Recent x-ray scattering experiments in YBa2Cu3O(6+x) observe incommensurate charge-density wave fluctuations whose strength rises gradually over a wide temperature range above Tc, but then decreases as the temperature is lowere...

I calculate the potential of a pointlike particle carrying SU(Nc) charge in a gauge theory with a dilaton. The solution depends on boundary conditions imposed on the dilaton: For a dilaton that vanishes at infinity the resulting potential is of the form (r + rφ) , with rφ inverse proportional to the decay constant of the dilaton. Another natural constraint for the dilaton φ is independence of 1...

A phenomenon resembling natural ball lightning can be produced via electrical arcing through silicon. We use lump silicon instead of silicon wafers to achieve higher production rates and larger, longer-lived luminous balls than previously reported. The luminous balls consist of a silicon core surrounded by a porous network of loosely bound silicon dioxide nanoparticles. We find that the balls c...