Research
We are generally interested in studying excited electronic states of molecules. The research projects in our group fall under the following categories.
Molecular spectroscopy: Analysis of high resolution electronic spectra of small molecules; calculation of spectral line intensities for ions and radicals; deperturbation of rovibronic energy levels.
Quantum chemistry: Ab initio calculations on excited electronic states; spin-orbit coupling and perturbations in diatomic spectra; bond dissociation energies of diatomic molecules.
Computational chemistry: Luminescence properties of inorganic and organic molecules; thermally activated delayed fluorescence; transition-metal-catalyzed reactions.
Publications
F. Mohammadian-Sabet, A. Shayesteh (2024) Multireference ab initio calculations on excited electronic states of carbazole-based organic compounds for thermally activated delayed fluorescence, Journal of Physical Chemistry A 128, 4937-4949.
Z. Mohammadian, A. Shayesteh (2023) Spin-orbit coupling in low-lying electronic states of CuH, Physical Chemistry Chemical Physics 25, 30488-30500.
Z. Safaei, A. Shayesteh (2020) Ab initio calculations on sequential reactions of nitric oxide with titanium ions in the gas phase, Journal of Physical Chemistry A 124, 5194-5203.
M. Abbasi, A. Shayesteh, P. Crozet, A.J. Ross (2018) Observation of low-lying electronic states of NiD with multi-isotope analysis, Journal of Molecular Spectroscopy 349, 49-59.
S.F. Alavi, A. Shayesteh (2018) Einstein A coefficients for rovibronic lines of the A2Π → X2Σ+ and B2Σ+ → X2Σ+ transitions of CaH and CaD, Monthly Notices of the Royal Astronomical Society 474, 2-11.
Education
PhD - University of Waterloo (2001-2006)
BS - University of Isfahan (1997-2001)