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pro vyhledávání: '"M Dadsetani"'
Autor:
M Dadsetani, H Nejatipour
Publikováno v:
Iranian Journal of Physics Research, Vol 11, Iss 2, Pp 129-138 (2011)
Recently, a new carbon modification, namly n-diamond, have been reported, whose structure is still a matter of debate. It is important to note that the synthesis of n-diamond was carried out in the presence of hydrogen or methan. In this work we eval
Externí odkaz:
https://doaj.org/article/a4df7f57e08e43a394f5b395d2059951
Autor:
H Nejatipour, M Dadsetani
Publikováno v:
Iranian Journal of Physics Research, Vol 18, Iss 3, Pp 490-490 (2018)
By means of ab-initio calculations on the basis of the FPLAPW method, we compared the energy loss near edge structure (ELNES) of carbon K edges in crystalline phenanthrene and its isomer, anthracene. In these two organic compounds, different non-equi
Externí odkaz:
https://doaj.org/article/bc750ef78ea04a30914585a0f649160b
Autor:
M Dadsetani, R Beiranvand
Publikováno v:
Iranian Journal of Physics Research, Vol 10, Iss 3, Pp 187-196 (2010)
Electronic and optical properties of calcium, strontium and barium chalcogenide compounds in NaCl structure are studied using the band structure results obtained through the full potential linearized augmented palne wave method. Different linear rela
Externí odkaz:
https://doaj.org/article/a1ab50e8bded44a9a578e13d13a76629
Publikováno v:
Journal of Electronic Materials. 49:2502-2520
In this study, the energy loss near edge structure (ELNES) of two-dimensional transition metal carbides and nitrides, namely ‘MXenes’, has been calculated in the density functional theory using the full-potential linearized augmented plane wave m
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Publikováno v:
Physical Review B. 102
Materials with tunable topological features, simple crystal structure, and flexible synthesis are in extraordinary demand towards the technological exploitation of unique properties of topological nodal points. The controlled design of the lattice ge
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 196:353-365
The variations in nonlinear optical activity (NLO) of anthracene (C14H10) was investigated via intermolecular interactions between C14H10 and HX molecules (X F, Cl and Br) using B3LYP-D3 method at 6-311++G(d,p) basis set. The stabilization of those c
Autor:
M. Dadsetani, Ahmad Abdolmaleki
Publikováno v:
Journal of Electron Spectroscopy and Related Phenomena. 223:1-10
In this study, the K and L2,3 X-ray absorption near edge structure (XANES) of bulk and monolayer black phosphorus (BP) were calculated and compared. Calculations were performed in two different levels of theory, with and without considering the excit
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