scispace - formally typeset
Search or ask a question

Showing papers by "Houcine Ghalla published in 2018"


Journal ArticleDOI
TL;DR: In this paper, a structural and electronic properties of 4-methoxybenzaldehyde (4MBA) have been presented using density functional theory (DFT) along with B3lyP hybrid functional is employed.

57 citations


Journal ArticleDOI
TL;DR: In this paper, the electronic properties of alkali atoms interacting with helium rare gas (CsHe and RbHe) are studied through a full configuration interaction calculation, in cooperation with a pseudopotential approach and core polarization potential.
Abstract: In this work, electronic properties of alkali atoms interacting with helium rare gas (CsHe and RbHe) are studied through a full configuration interaction calculation, in cooperation with a pseudopotential approach and core polarization potential. The adiabatic potential energy curves for the ground state and numerous excited states of CsHe and RbHe systems are investigated. The corresponding spectroscopic constants such as equilibrium distance Re, well depth De, vibrational constant ωe, anharmonic constant, rotational constant Be, and transition energy Te as well as the vibrational levels of all electronic states are computed. Finally, permanent and transition dipole moment curves for the sigma states are determined and analyzed.

3 citations


Journal ArticleDOI
TL;DR: In this article, the thermal stability of quinoline phosphate (QP) was investigated in terms of differential scanning calorimetry (DSC) measurement, which showed that QP compound is thermally stable up to 150°C.

2 citations