Zobrazeno 1 - 10
of 26
pro vyhledávání: '"Ashkan Shekaari"'
Autor:
Ashkan Shekaari, Mahmoud Jafari
Publikováno v:
Materials Research Express, Vol 8, Iss 9, p 095404 (2021)
Determining potential abilities of nanostructures to induce toxicity to biological molecules is still a convoluted challenge in the realm of nanomedicine. Based on the unprecedented achievements of two-dimensional nanomaterials in nearly all areas of
Externí odkaz:
https://doaj.org/article/3d16a28e9d5c4d96a5a0801b9681b915
Autor:
Mahmoud Jafari, Ashkan Shekaari
Publikováno v:
Molecular Simulation. 48:712-718
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f7f504b483ac30ff904f80249d28492f
https://doi.org/10.1080/08927022.2022.2046272
https://doi.org/10.1080/08927022.2022.2046272
Autor:
Ashkan Shekaari, Mahmoud Jafari
Publikováno v:
Phase Transitions. 94:889-898
Car–Parrinello molecular dynamics simulations were applied to investigate phase-transition behavior of (H2O)n few-body system for n=1−4 at BLYP-GGA level of density-functional theory. A number of i...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::78a1aed9e1b4eacfe763f732c705b2a3
https://doi.org/10.1080/01411594.2021.1980564
https://doi.org/10.1080/01411594.2021.1980564
Autor:
Mahmoud Jafari, Ashkan Shekaari
Publikováno v:
Progress in Biophysics and Molecular Biology. 150:98-103
Effect of environment coupling on the quantum-biological phenomenon of proton tunneling in the hydrogen bonds of the adenine-thymine base pair in DNA was modeled within the framework of quantum statistics and perturbation theory. A number of importan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ad97049bbb4337daec804380dfe139e3
https://doi.org/10.1016/j.pbiomolbio.2019.07.002
https://doi.org/10.1016/j.pbiomolbio.2019.07.002
Publikováno v:
Journal of Thermal Analysis and Calorimetry. 138:1167-1173
We have investigated the thermodynamic properties of titanium carbide (TiC) nanowire within the framework of density functional theory and quasi-harmonic approximation via calculating the temperature dependence of a number of thermodynamic quantities
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::de1a55701356d6c0077885758c60e10d
https://doi.org/10.1007/s10973-019-08280-y
https://doi.org/10.1007/s10973-019-08280-y
Autor:
Mahmoud Jafari, Ashkan Shekaari
Publikováno v:
Physica A: Statistical Mechanics and its Applications. 518:80-88
We have modeled a double-stranded DNA nanostructure within the framework of statistical mechanics and ensemble theory as composed of a large number of base pairs with rotational degrees of freedom around the bases to generate helical or bent configur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::119c86b8ab1d561cc045138b4df5edb4
https://doi.org/10.1016/j.physa.2018.11.054
https://doi.org/10.1016/j.physa.2018.11.054
Autor:
Mahmoud Jafari, Ashkan Shekaari
Determining potential abilities of nanostructures to induce toxicity to biological molecules is still a convoluted challenge in the realm of nanomedicine. Based on the unprecedented achievements of two-dimensional nanomaterials in nearly all areas of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::73e21339696f1d375016194e1d4a38ce
http://arxiv.org/abs/2106.04490
http://arxiv.org/abs/2106.04490
