Abstract: Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward pyrrole (C5H6N) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of pyrrole on the pristine nanotubes is a bout -16.37kcal/mol. But when nanotube have been doped with Si and Al atom...

Introduction: The aim of this study is to investigate the effect of partially used high photon energies on dosimetric parameters and integral doses of nasopharynx IMRT plans.   Materials and Methods: Two 7 coplanar IMRT plan were created for eleven patients (6 MV only IMRT plan in both phase1 and phase2 and 6 MV phase1-mixed energies (6 MV and 15 MV) phase2...

Structural properties, energies behavior and NBO analysis was performed for1-5 prototrophic shift endinelboran where substitutions like H, CH3 and CF3 that were placed on Benzene were investigated by usingDFT-B3LYP/6-311+G** level of theory. The Results show that, -BH2 shift doesn’t take place and a kind of[1,3] shift for borotrophic occured. In prototrophic shift, however, [1,5] transition eas...

in this study, geometrical optimizations of clonidine drug were carried out with the hf/6-31g basissets .then, drug was put covalently to carbon nanocone with (5, 1) structure and a length of 150a. weuse chem office software and hyper chem at the end data will be presented as tables and figs.simulation was done in mm+, amber and opls force fields by monte carlo method. threeimportant energy par...

introduction the use of cut-outs in electron applicators make changes on output, isodose, and percentage depth dose (pdd) curves. these changes and electron beam dose distribution in the form of three-dimensional (3d) can be measured by gel dosimeters. materials and methods dosimetry was performed with and without a square shield (6×6 cm2 field). the energies were 4, 9, and 16 mev and phantom w...

to get a mole of a gas, it is necessary to calculate the intermolecular interaction. theseintermolecular interactions can be depicted by drawing the potential energy of a pair molecule inrelation to the distance. the intermolecular potential energy surface in the mixtures of ch4-h2cogases from ab initio calculations has been explored. in ab initio calculations the basis setsuperposition error (...

to evaluate antioxidant effects of tomato pomace in broiler diets contained full-fat linseed on the production index, energy and protein efficiency, 396 one-day old ross 308 broilers were randomly allocated to 36 cages for nine dietary treatments with four replicate. this experiment were carried out in a completely randomized design with 3*3 factorial arrangement with three levels of full-fat l...

For several decades, the Geostationary Operational Environmental Satellites (GOES) series have provided both real-time and historical data for radiation exposure estimation solar proton environment modelling. Recently, groups conducted calibration studies that significantly reduced uncertainties on response of GOES detectors, thus improving reliability spectral observations energetic particle e...