Publications by authors named "Vinodkumar P C"

In this study, we investigate the low-energy electron (<20 eV) scattering cross sections for the linear ethyl amine and propyl amine using the R-matrix approach. A theoretical study is conducted, covering various cross sections such as elastic, symmetry-wise elastic, differential, momentum transfer, and electronic excitation. We obtained the ionization cross section using the CSP-ic and BEB methodologies.

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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. Spectroscopic calculations are performed on the ground and excited states of glycolaldehyde using density functional theory (DFT) and time-dependent density functional theory (TDDFT), respectively. The optimized geometrical parameters and vibrational spectrum are in good agreement with the earlier reported work.

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This study presents the results of electron scattering calculations on a biologically important molecule, imidazole, using the UK molecular -matrix method. The -matrix calculations are performed using SE, SEP, and CC models, and the resonance detected in the present SEP model is found to be in better agreement with available experimental data than previous theoretical data. The study also reports an inelastic scattering cross section, which comprises dissociative electron attachment (DEA), excitation, and ionization cross section, for the first time.

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Dissociative electron attachment (DEA) of acrylonitrile (CHCN) is investigated theoretically for two dominant anions CN and CN for the electron impact energy range of 0-20 eV. The present low-energy DEA calculations are performed using the UK molecular R-matrix code using Quantemol-N. We have performed static exchange polarization (SEP) calculations by employing a cc-pVTZ basis set.

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