Quantemol-EC Publications

Dissociation of Hydrofluorocarbon Molecules after Electron Impact in Plasma | The Journal of Physical Chemistry Letters (acs.org) D.V. Mahkov, G. Armstrong, H. Chuang, H. Ambalampitiya, K. Lemishko, S. Mohr, A. Nelson, J. Tennyson, and D. Shalashilin et al J. Phys. Chem. Lett. 2024, 15, 12, 3404–3411

Generation and optimization of cross-sections for electron-C4F7N collisions. M Flynn et al 2023 J. Phys. D: Appl. Phys. 56 485207

Electron-impact high-lying N-2(-) resonant states. Su, He & Cheng, Xinlu & Cooper, Bridgette & Tennyson, Jonathan. (2022).

Low-Energy Electron Scattering from c-C4F8.Gupta, D.; Choi, H.; Kwon, D.-C.; Su, H.; Song, M.-Y.; Yoon, J.-S.; Tennyson, J. Low-Energy Electron Scattering from c-C4F8. Atoms 2022, 10, 63.(2022)

Electron ionisation of cyanoacetylene: ionisation cross sections and dication formation. L. K Ellis-Gibbings et al 2022 J. Phys. B: At. Mol. Opt. Phys. 55 124001 (2022)

R-Matrix Calculation of Electron Collisions with Molecular Oxygen in Its Electronically Excited States. J. Phys. Chem. A 2022, 126, 13, 2061–2074 (2022)

Research on the evaluation method of eco-friendly gas in the application of high voltage circuit breaker. H. Sun, H. Long, Y. Wu, J. Chen, C. Niu and M. Rong (2022)

Why SF6 eats electrons: identifying high electrical strength molecules from their electron collision properties. Wang et al, J. Phys. B, 54, 025202 (2021)

The efficient calculation of electron impact ionization cross sections with effective core potentials. V. Graves et al, J Chem Phys, 154,114104 (2021)

Theoretical study of the alkali hydride anions XH – (X=Li, Na, and K). Zeid et al, Chem Phys, 538, 110825 (2020).

Quantemol-DB Publications

Determination and assessment of a complete and self-consistent electron-neutral collision. B. Zhang et al 2023 J. Phys. D: Appl. Phys. 56 134001

The 2021 release of the Quantemol database (QDB) of plasma chemistries and reactions J. Tennyson et al 2022 Plasma Sources Sci. Technol. 31 095020

Targeted Cross-Section Calculations for Plasma Simulations. S. Mohr, M. Tudorovskaya, M. Hanicinec, J. Tennyson, Atoms 2021, 9(4), 85

Fast species ranking for iterative species-oriented skeletal reduction of chemistry sets. M. Hanicinec, S. Mohr and J. Tennyson, 2020 Plasma Sources Sci. Technol. 29 125024

Reduced chemistries with the Quantemol database (QDB) A. Ayilaran, M. Hanicinec, S. Mohr and J. Tennyson, 2019 Plasma Science and Technology, Volume 21, Number 6

QDB: a new database of plasma chemistries and reactions J. Tennyson et al 2017 Plasma Sources Sci. Technol. 26 055014