Theoretical investigation of electron impact scattering on imidazole

T Jani, V PC, M Vinodkumar - The Journal of Physical Chemistry …, 2023 - ACS Publications
This study presents the results of electron scattering calculations on a biologically important
molecule, imidazole, using the UK molecular R-matrix method. The R-matrix calculations are …

Electron impact scattering and electronic excitation in glycolaldehyde: The first ever detected sugar in space

N Bhavsar, A Shastri, PC Vinodkumar… - Spectrochimica Acta Part …, 2024 - Elsevier
Detailed theoretical investigations on structural, spectroscopic and electron scattering cross
sections of glycolaldehyde, the first ever detected sugar in space are reported in this work …

Dynamics of electron collision with potential biofuel: N-butanol

N Bhavsar, T Jani, PC Vinodkumar… - Radiation Physics and …, 2023 - Elsevier
A detailed theoretical investigation of electron impact collision on n-butanol, a potential
biofuel, is carried out over a wide energy impact range from 0.1 to 5000 eV. The low energy …

Adsorption behavior of HFCO and COF2 gasses on pristine, Al-doped, and N-doped (8, 0) single-wall carbon nanotubes and pristine aluminum nitride nanotube: A …

M Ghafari, H Mohammadi-Manesh… - Journal of Fluorine …, 2024 - Elsevier
The detection of organic pollutants in the environment is crucial due to their significant
impact on human health. Formyl fluoride (HFCO) and carbonyl fluoride (COF 2) are toxic …

Theoretical investigations of the electronic states and electron scattering cross-sections of thiazole (C3H3NS)

T Jani, A Shastri, PC Vinodkumar, C Limbachiya… - Journal of Electron …, 2022 - Elsevier
We present here theoretical investigations of electronic states and electron scattering cross-
sections of the thiazole molecule. Spectroscopic calculations are performed on ground and …