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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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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
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
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
Jenkins AJ, Vacher M, Twidale RM, et al. (2016) Charge migration in polycyclic norbornadiene cations: Winning the race against decoherence. The Journal of Chemical Physics. 145: 164103
Vacher M, Albertani FE, Jenkins AJ, et al. (2016) Electron and nuclear dynamics following ionisation of modified bismethylene-adamantane. Faraday Discussions
Jenkins AJ, Vacher M, Bearpark MJ, et al. (2016) Publisher's Note: "Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations" [J. Chem. Phys. 144, 104110 (2016)]. The Journal of Chemical Physics. 144: 129902
Jenkins AJ, Vacher M, Bearpark MJ, et al. (2016) Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations. The Journal of Chemical Physics. 144: 104110
Meisner J, Vacher M, Bearpark MJ, et al. (2015) Geometric Rotation of the Nuclear Gradient at a Conical Intersection: Extension to Complex Rotation of Diabatic States. Journal of Chemical Theory and Computation. 11: 3115-22
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