Quantemol’s Publications

Quantemol-EC Publications

Brook, R., Bramley, O., Makhov, D.V., Nelson, A., Armstrong, G., Yong, J., Saunders, E., de Viggiani, J., Tennyson, J. and Shalashilin, D.V., (2025). Rules of triplet state electron impact neutral dissociation in plasma from molecular dynamics simulations and an electrophore model. Journal of Vacuum Science & Technology A, 43(4), p.043003. Available at: https://pubs.aip.org/avs/jva/article/43/4/043003/3347943/Rules-of-triplet-state-electron-impact-neutral

Lemishko, K.M., Armstrong, G.S.J., Mohr, S., Nelson, A., Tennyson, J. and Knowles, P.J., (2025). Machine learning-based estimator for electron impact ionization fragmentation patterns. Journal of Physics D: Applied Physics, 58(10), p.105208. Available at: https://iopscience.iop.org/article/10.1088/1361-6463/ada37e

Makhov, D.V., Armstrong, G., Chuang, H.H., Ambalampitiya, H., Lemishko, K., Mohr, S., Nelson, A., Tennyson, J. and Shalashilin, D., (2024). Dissociation of Hydrofluorocarbon Molecules after Electron Impact in Plasma. The Journal of Physical Chemistry Letters, 15(12), pp.3404-3411. Available at: https://pubs.acs.org/doi/10.1021/acs.jpclett.4c00348

Tennyson, J., (2024). Electron–molecule collision calculations: a primer. Journal of Physics B: Atomic, Molecular and Optical Physics, 57(23), p.233001. Available at:[ https://iopscience.iop.org/article/10.1088

Hanicinec, M., Mohr, S., & Tennyson, J. (2023). A regression model for plasma reaction kinetics. Journal of Physics D-Applied Physics, 56(37), 374001. doi:10.1088/1361-6463/acd390 Available at: https://iopscience.iop.org/article/10.1088/1361-6463/acd390

Flynn, M., Agan, J., Neuber, A. and Stephens, J., (2023). Generation and optimization of cross-sections for electron-C4F7N collisions. Journal of Physics D: Applied Physics, 56(48), p.485207. Available at: https://iopscience.iop.org/article/10.1088/1361-6463/acf3db/pdf

Snoeckx, R., Tennyson, J. and Cha, M.S. (2023) Theoretical cross sections for electron collisions relevant for ammonia discharges part 1: NH3, NH2, and NH. Plasma Sources Science and Technology, 32(11), p. 115020. Available at:https://iopscience.iop.org/article/10.1088/1361-6595/ad0d07

Ellis-Gibbings, L.K., Cooper, B., Tennyson, J. and Price, S.D., (2022). Electron ionisation of cyanoacetylene: ionisation cross sections and dication formation. Journal of Physics B: Atomic, Molecular and Optical Physics, 55(12), p.124001. Available at https://iopscience.iop.org/article/10.1088/1361-6455/ac6781

Gupta, D., Choi, H., Kwon, D.C., Su, H., Song, M.Y., Yoon, J.S. and Tennyson, J., (2022). Low-Energy Electron Scattering from c-C4F8. Atoms, 10(2), p.63. Available at: https://www.mdpi.com/2218-2004/10/2/63

Su, H., Cheng, X., Cooper, B., Tennyson, J. and Zhang, H., (2022). Electron-impact high-lying N2− resonant states. Physical Review A, 105(6), p.062824. Available at: https://www.researchgate.net/publication/361596180\_Electron-impact\_high-lying\_N\2\-\_resonant\_states

H. Sun, H. Long, Y. Wu, J. Chen, C. Niu and M. Rong, “Research on the evaluation method of eco-friendly gas in the application of high voltage circuit breaker,” 2022 6th International Conference on Electric Power Equipment – Switching Technology (ICEPE-ST), Seoul, Korea, Republic of, (2022), pp. 1-4, doi: 10.1109/ICEPE-ST51904.2022.9757096. Available at https://ieeexplore.ieee.org/document/9757096

Huang, C., Zhang, H. and Cheng, X., (2022). R-Matrix Calculation of Electron Collisions with Molecular Oxygen in Its Electronically Excited States. The Journal of Physical Chemistry A, 126(13), pp.2061–2074. Available at: https://pubs.acs.org/doi/10.1021/acs.jpca.1c09153

Ambalampitiya, H.B., Hamilton, K.R., Zatsarinny, O., Bartschat, K., Turner, M.A.P., Dzarasova, A. and Tennyson, J., (2021). Electron Scattering Cross-Section Calculations for Atomic and Molecular Iodine. Atoms, 9(4), p.103. Available at: https://www.mdpi.com/2218-2004/9/4/103

Ayouz, M., Faure, A., Tennyson, J., Tudorovskaya, M., & Kokoouline, V. (2021). Cross Sections and Rate Coefficients for Vibrational Excitation of H2O by Electron Impact. Atoms, 9(3), 62. doi:10.3390/atoms9030062 Available at: https://www.mdpi.com/2218-2004/9/3/62

Graves, V., Cooper, B. and Tennyson, J., (2021). The efficient calculation of electron impact ionization cross sections with effective core potentials. The Journal of Chemical Physics, 154(11), p.114104. Available at: https://pubs.aip.org/aip/jcp/article/154/11/114104/315339/The-efficient-calculation-of-electron-impact

Cooper, B., Tudorovskaya, M., Mohr, S., O’Hare, A., Hanicinec, M., Dzarasova, A., Gorfinkiel, J.D., Benda, J., Mašín, Z., Al-Refaie, A.F., Knowles, P.J. and Tennyson, J., (2019). Quantemol Electron Collisions (QEC): An Enhanced Expert System for Performing Electron Molecule Collision Calculations Using the R-Matrix Method. Atoms, 7(4), p.97. Available at: https://www.mdpi.com/2218-2004/7/4/97

Brigg, WJ., Harvey, AG., Dzarasova, A., Mohr, S., Brambila, DS., Morales, F., Smirnova, O., & Tennyson, J. (2015). Calculated photoionization cross sections using Quantemol-N. Japanese Journal of Applied Physics, 54(6), 06GA02. doi:10.7567/JJAP.54.06GA02Ambalampitiya, Available at: https://www.ucl.ac.uk/amopp/sites/amopp/files/601.pdf