Carbon quantum dots (CQDs) serve as a new class of ‘zero dimensional’ nanomaterial’s in thecarbon class with sizes below 10 nm. As light emitting nanocrystals, QDs are assembled from semiconductormaterials, from the elements in the periodic groups of II-VI, III-V or IV-VI, mainly thanks to impacts of quantum confinement QDs have unique optical properties such as brighter, highly pho...

the interaction of anticancer drug sn (ch3)2(n-acetyl-l-cysteinate) with carbon nanotube (cnt)is investigated by quantum chemical ab initio calculations at fif/ (lanl2dz+sto-3g) and hf/(lanl2dz+6-31g) levels in gas phase and solution. the solvent effect is taken into account viathe self-consistent reaction field (scrf) method. carbon nanotubes can act as a suitable drugdelivery vehicle for inte...

h6-benzne, h6-garphyne) was studied with MPW1PW91 quantum chemical computations. Quantumtheory of atoms in molecules (QTAIM) was applied to elucidate these complexes Cr-CO bonds. Theellipticity (e) and h values of the Cr-CO bonds were calculated. The amount of pp-dp back-donation ofCr-CO bonds were illustrated by calculation of the magnitude of the quadrupole polarization of c...

the study comparatively assessed the impacts of farm activities on the abundance and diversity of soil arthropods and soil physico-chemical parameters of the practical year training programme (pytp) farmlands, university of ibadan, south western nigeria. soil arthropods were collected from september, 2010 to february, 2011 in five sampling sites of pytp farmlands using berlese tullgren extracti...

Chromium and molybdenum are intermediate elements of a periodic table group, both of which are both low but essential in nutrition because they play a key role in the metabolism of the chemical activity of the body. Anion analysis of these compounds in order to compare the properties of the elements of the periodic table in one The group is from the periodic table. In this paper, the quantum ch...

The magnetic quantum criticality in strongly correlated electron systems has been considered to be closely related with the occurrence of unconventional superconductivity. Control parameters such as magnetic field, pressure or chemical doping are frequently used to externally tune the quantum phase transition for a deeper understanding. Here we report the research of a field-induced quantum pha...

Time-dependent antibacterial activity of 2-furylethylenes using quantum chemical, topographic, and topological indices is described as inhibition of respiration in E. coli. A QSAR strategy based on the combination of the linear piecewise regression and the discriminant analysis is used to predict the biological activity values of strong and moderates antibacterial furylethylenes. The breakpoint...