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We report the results of the study on electron-driven molecular processes for the perfluoronitriles, C 3 F 5 N and C 4 F 7 N for a wide energy range, from the ionisation potential to 5000 eV. These compounds have been shown to have extremely low global warming potential, suggesting they could be useful in gas discharges and plasma reactors. Calculations of ionisation cross sections ( Q ion ) are made using the complex scattering potential-ionisation contribution (CSP-ic) method and are shown to be in good agreement with the available data. Elastic ( Q el ), inelastic ( Q inel ) and total ( Q T ) cross sections are computed through spherical complex optical potential formalism. We have recently developed two-parameter semi-empirical method (2p-SEM) for large molecules with 55 < Z < 95 to report Q el and Q T . This work is a maiden report of Q el and Q T for C 3 F 5 N and C 4 F 7 N. We present various correlation studies between the cross sections and target parameters, leading to a prediction of polarizability. We have derived dielectric constant using number density and molar mass and have correlated Q ion (max) with dielectric constant. Graphical abstract

We present here total cross sections obtained as sum of elastic and electronic excitation cross sections below ionization threshold of the target and sum of elastic and inelastic cross sections above ionization threshold molecule. We employ two different codes, R matrix code through Quantemol N for low energies and Spherical Complex Optical Potential for intermediate and high energies.

We present here total cross sections obtained as sum of elastic and electronic excitation cross sections below ionization threshold of the target and sum of elastic and inelastic cross sections above ionization threshold molecule. We employ two different codes, R matrix code through Quantemol N for low energies and Spherical Complex Optical Potential for intermediate and high energies.

In this paper we have computed total cross sections for H2S and PH3 using two different molecular codes, Quantemol N for low energy calculations and Spherical Complex Optical Potential for intermediate and high energies. The results are found to be in overall good agreement with available theoretical and experimental results.

In this paper we have computed total cross sections for H2S and PH3 using two different molecular codes, Quantemol N for low energy calculations and Spherical Complex Optical Potential for intermediate and high energies. The results are found to be in overall good agreement with available theoretical and experimental results.

In this paper we report calculations of various total cross sections namely total elastic (Qel), total ionization (Qion), total (complete) cross sections (QT) and grand total cross sections (QTOT) for the impact of electrons on methyl compounds namely, methanol, methylamine and total ionization cross sections on reactive diatomic radical SO and SO2 molecule at energies from circa threshold to 2000 eV. We have employed the Spherical Complex Optical Potential (SCOP) formalism to evaluate Qel, Qinel, QT and QTOT and used our semi-empirical, Complex Spherical Potential — ionization contribution (CSP-ic) method to derive Qion. These results are compared with available experimental and other theoretical data and overall good agreement is observed