the interaction of a nitrosyl hydride (hno) molecule with b12n12 nanocage was explored by means of density functional calculations. it was found that hno prefers to be adsorbing on a boron atom of the cage with adsorption energy of -0.65 ev. this adsorption process significantly shifts the homo-lumo gap (eg) of the cage to lower energies, thereby reducing eg of the cage from 6.84 to 2.45 ev. ti...

background: initial studies have shown that low-energy ultrasound stimulates living tissue cells to reduce regeneration or speed up their recovery. the purpose of this study was to examine the effects of various ultrasound parameters on the speed of recovery in injured sciatic nerves. methods: nmri mice (n = 200) with injured left paw, caused by crushing their sciatic nerves, were randomly sele...

conclusions in our study, we treated this rare fracture successfully using a modified swashbuckler approach and found it to be a good approach for such fractures as compared to the conventional approach. case presentation a 32-year-old male sustained a bicondylar hoffa fracture of the right femur which was treated by open reduction and internal fixation using a modified swashbuckler approach. a...

The first is an examination by Csonka and French of the ability of DFT to predict the relative energy of carbohydrate conformation energies. 1 They examined 15 conformers of αand β-D-allopyranose, fifteen conformations of 3,6-anydro-4-Omethyl-D-galactitol and four conformers of β-D-glucopyranose. The energies were referenced against those obtained at MP2/a-cc-pVTZ(-f)//B3LYP/6-31+G*. (This unus...

We report on density-functional total-energy calculations of the step formation and interaction energies for vicinal TaC~001! surfaces. Our calculations show that doubleand triple-height steps are favored over singleheight steps for a given vicinal orientation, which is in agreement with recent experimental observations. We provide a description of steps in terms of atomic displacements and cha...