in this work, theoretical investigations on carbon nanotube with oxygen atom have been carried out by firstprinciplescalculations and density functional theory and hartree fock theory in 3-216 and 6-316 basis sets. theinteraction energy of the oxygen atom to a cnt is calculated. the effects of this substitutions have beeninvestigated on the during transplantation (10,0) single-walled carbon nan...

The intermolecular binding (lattice) energies are calculated for the molecular crystals cyclotrimethylene trinitramine, pentaerythritol, and pentaerythritol tetranitrate using the CRYSTAL 98/03 and GAUSSIAN 98 programs, the DMOL program and the CASTEP program and compared with experiment. Calculating the theoretical intermolecular binding energy as a tool for testing the intrinsic quality of a ...

the electric quadrupole, hexadecapole moments, energy (kjmol -1) for some armchair polyhex carbon nanotubes tuvc6[2p,q] are performed by beck-lee-yang-parr [b3lyp] on 3-21g basis set using the standard procedure indices gaussian 98, then the padmakar-ivan (pi) index of tuvc6[2p,q] nanotubes in the terms of their circumference (2p) and lengh (q) is calculated and the relationships between the pa...

1 Information characteristics of a quantum channel During the last couple of years an impressive progress has been achieved in the theory of transmission of classical information through quantum communication channels (see [8] for a comprehensive survey). The problem of sending quantum information is much less understood; we refer in particular to the papers [10], [2], [1], initiating the study...

BACKGROUND Accurate, rapid detection of atrial tachyarrhythmias has important implications in the use of implantable devices for treatment of cardiac arrhythmia. Currently available detection algorithms for atrial tachyarrhythmias, which use the single-index method, have limited sensitivity and specificity. METHODS AND RESULTS In this study, we evaluated the performance of a new Bayesian disc...

In this work, theoretical investigations on carbon nanotube with oxygen atom have been carried out by firstprinciplescalculations and density functional theory and hartree fock theory in 3-216 and 6-316 basis sets. Theinteraction energy of the oxygen atom to a CNT is calculated. The effects of this substitutions have beeninvestigated on the during transplantation (10,0) single-walled carbon nan...

The electric quadrupole, hexadecapole moments, energy (kJmol -1) for some armchair polyhex carbon nanotubes TUVC6[2p,q] are performed by Beck-Lee-Yang-Parr [B3LYP] on 3-21G basis set using the standard procedure indices GAUSSIAN 98, then the Padmakar-Ivan (PI) index of TUVC6[2p,q] nanotubes in the terms of their circumference (2p) and lengh (q) is calculated and the relationships between the Pa...

A method for efficiently converting a Gaussian beam into a helical Laguerre–Gaussian (LG) beam is presented. It is based on using a pair of axicons to produce a shifted-Gaussian (doughnut) intensity distribution that is then passed through a spiral phase element. It is shown that the conversion efficiency can be as high as 98%, and the calculated far-field intensity distributions of the output ...