Zobrazeno 1 - 10
of 48
pro vyhledávání: '"Boustani, Ihsan"'
Publikováno v:
J. Phys. Chem. A 125, 10734 (2021)
In this work, we present large-scale electron-correlated computations on various conformers of B$_{12}$H$_{12}$ and B$_{12}$H$_{6}$ clusters, to understand the reasons behind the high stability of di-anion icosahedron ($I_{h}$) and cage-like B$_{12}$
Externí odkaz:
http://arxiv.org/abs/2109.12792
Publikováno v:
J. Phys. Chem. Solids 133, 108 (2019)
In this work we undertake a comprehensive numerical study of the ground state structures and optical absorption spectra of isomers of B$_{12}$ cluster. Geometry optimization was performed at the coupled-cluster-singles-doubles (CCSD) level of theory,
Externí odkaz:
http://arxiv.org/abs/1802.01072
Publikováno v:
In Journal of Physics and Chemistry of Solids October 2019 133:108-116
Nanotubular materials inspired by crystalline diborides such as AlB_2 are proposed. The atomic structure, in particular the basic chemical question of where to put Al atoms in order to stabilize nanotubular Al-B systems, is investigated using density
Externí odkaz:
http://arxiv.org/abs/cond-mat/0103141
Publikováno v:
In Journal of Physics and Chemistry of Solids 2008 69(8):2004-2012
Publikováno v:
Journal of Physical Chemistry C; 12/30/2021, Vol. 125 Issue 51, p10734-10741, 8p
Publikováno v:
The Journal of Physical Chemistry - Part A; December 2021, Vol. 125 Issue: 51 p10734-10741, 8p
Publikováno v:
In Journal of Solid State Chemistry October 2000 154(1):269-274
Publikováno v:
In Journal of Molecular Structure 1 March 1999 478(1-3):193-197