Michael J. Bearpark
Affiliations: | Department of Chemistry | Imperial College London, London, England, United Kingdom |
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Sign in to add trainee| Lee M. Thompson | grad student | 2009-2014 | Imperial College London |
| Stefano Artin Serapian | grad student | 2010-2014 | Imperial College London, Department of Chemistry |
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Publications
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| Danilov D, Jenkins AJ, Bearpark MJ, et al. (2023) Coherent Mixing of Singlet and Triplet States in Acrolein and Ketene: A Computational Strategy for Simulating the Electron-Nuclear Dynamics of Intersystem Crossing. The Journal of Physical Chemistry Letters. 14: 6127-6134 |
| Danilov D, Tran T, Bearpark MJ, et al. (2022) How electronic superpositions drive nuclear motion following the creation of a localized hole in the glycine radical cation. The Journal of Chemical Physics. 156: 244114 |
| Segarra-Martí J, Bearpark MJ. (2021) Modelling photoionisation in isocytosine: potential formation of longer-lived excited state cations in its keto form. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry |
| Segarra-Martí J, Segatta F, Mackenzie TA, et al. (2019) Modeling multidimensional spectral lineshapes from first principles: application to water-solvated adenine. Faraday Discussions. 221: 219-244 |
| Tran T, Segarra-Martí J, Bearpark MJ, et al. (2019) Molecular Vertical Excitation Energies Studied with First Order RASSCF (RAS[1,1]): Balancing Covalent and Ionic Excited States. The Journal of Physical Chemistry. A |
| Segarra-Martí J, Tran T, Bearpark MJ. (2019) Ultrafast and radiationless electronic excited state decay of uracil and thymine cations: computing the effects of dynamic electron correlation. Physical Chemistry Chemical Physics : Pccp |
| Polyak I, Jenkins AJ, Vacher M, et al. (2018) Charge migration engineered by localisation: electron-nuclear dynamics in polyenes and glycine Molecular Physics. 116: 2474-2489 |
| Vacher M, Bearpark MJ, Robb MA, et al. (2017) Electron Dynamics upon Ionization of Polyatomic Molecules: Coupling to Quantum Nuclear Motion and Decoherence. Physical Review Letters. 118: 083001 |
| Spinlove K, Vacher M, Bearpark M, et al. (2017) Using quantum dynamics simulations to follow the competition between charge migration and charge transfer in polyatomic molecules Chemical Physics. 482: 52-63 |
| Polyak I, Bearpark MJ, Robb MA. (2017) Application of the unitary group approach to evaluate spin density for configuration interaction calculations in a basis of S 2 eigenfunctions International Journal of Quantum Chemistry. 118: e25559 |