Michael A. Robb, Ph.D

Affiliations: 
Chemistry Imperial College, London, London, England, United Kingdom 
Area:
Computational chemistry
Website:
http://www3.imperial.ac.uk/people/mike.robb
Google:
"Michael Robb"
Bio:

http://scholar.google.com/citations?user=kq0NYnMAAAAJ&hl=en

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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
Tran T, Worth GA, Robb MA. (2021) Control of nuclear dynamics in the benzene cation by electronic wavepacket composition. Communications Chemistry. 4: 48
Olivucci M, Tran T, Worth GA, et al. (2021) Unlocking the Double Bond in Protonated Schiff Bases by Coherent Superposition of S and S. The Journal of Physical Chemistry Letters. 5639-5643
Tran T, Jenkins AJ, Worth GA, et al. (2020) The quantum-Ehrenfest method with the inclusion of an IR pulse: Application to electron dynamics of the allene radical cation. The Journal of Chemical Physics. 153: 031102
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
Jenkins AJ, Robb MA. (2019) The damped Ehrenfest (D-Eh) method: Application to non-adiabatic reaction paths Computational and Theoretical Chemistry. 1152: 53-61
Spinlove KE, Richings GW, Robb MA, et al. (2018) Curve crossing in a manifold of coupled electronic states: direct quantum dynamics simulations of formamide. Faraday Discussions
Jenkins AJ, Spinlove KE, Vacher M, et al. (2018) The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cations. The Journal of Chemical Physics. 149: 094108
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
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