Chemically aware unitary coupled cluster with ab initio calculations on an ion trap quantum computer: A refrigerant chemicals' application.

Autor: Khan, I. T., Tudorovskaya, M., Kirsopp, J. J. M., Muñoz Ramo, D., Warrier, P., Papanastasiou, D. K., Singh, R.

Publikováno v: Journal of Chemical Physics; 6/7/2023, Vol. 158 Issue 21, p1-14, 14p

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Electron Scattering Cross Sections for Anthracene and Pyrene.

Autor: Singh S; Atomic and Molecular Physics Lab, Department of Physics, Indian Institute of Technology (Indian School of Mines), Dhanbad, JH 826004, India., Gupta D; Plasma Technology Research Center, National Fusion Research Institute, 37 Dongjangsan-ro, Gunsan, Jeollabuk-do 54004, South Korea.; Department of Particle Physics and Astrophysics, Weizmann Institute of Science, Rehovot 7610010, Israel., Antony B; Atomic and Molecular Physics Lab, Department of Physics, Indian Institute of Technology (Indian School of Mines), Dhanbad, JH 826004, India., Tudorovskaya M; Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, U.K., Tennyson J; Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, U.K.

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2020 Sep 03; Vol. 124 (35), pp. 7088-7100. Date of Electronic Publication: 2020 Aug 19.

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Effects of probe energy and competing pathways on time-resolved photoelectron spectroscopy: the ring-opening of 1,3-cyclohexadiene.

Autor: Tudorovskaya M; EaStCHEM, School of Chemistry, University of Edinburgh, David Brewster Road, EH9 3FJ, Edinburgh, UK. Adam.Kirrander@ed.ac.uk., Minns RS, Kirrander A

Publikováno v: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2018 Jul 04; Vol. 20 (26), pp. 17714-17726.