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M

Michael A. Robb

Imperial College London

79H-index
414Paper Count
2.0WCitation Count
Published Papers 130
Publication Date
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Coherent Excitation of the CH Stretching Vibrations in C2H4+: The Role of the Derivative Coupling Studied by the Quantum Ehrenfest Method
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-01-11
err1
errOAAI
errTran, Thierry; Worth, Graham A.; Robb, Michael A.
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How electronic superpositions drive nuclear motion following the creation of a localized hole in the glycine radical cation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-06-30
err8
errOAAI
errDanilov, Don; Tran, Thierry; Bearpark, Michael J. J.; Marangos, Jon P. P.; Worth, Graham A. A.; Robb, Michael A. A.
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errSave
Control of nuclear dynamics in the benzene cation by electronic wavepacket composition
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2021-04-01
err13
errOAAI
errTran, Thierry; Worth, Graham A.; Robb, Michael A.
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The quantum-Ehrenfest method with the inclusion of an IR pulse: Application to electron dynamics of the allene radical cation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-07-15
err17
errOAAI
errTran, Thierry; Jenkins, Andrew J.; Worth, Graham A.; Robb, Michael A.
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The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-09-07
err33
errOAAI
errJenkins, Andrew J.; Spinlove, K. Eryn; Vacher, Morgane; Worth, Graham A.; Robb, Michael A.
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Curve crossing in a manifold of coupled electronic states: direct quantum dynamics simulations of formamide
errFARADAY DISCUSSIONS
IF3.1
err2018-01-01
err9
errOAAI
errSpinlove, K. Eryn; Richings, Gareth W.; Robb, Michael A.; Worth, Graham A.
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Charge migration in polycyclic norbornadiene cations: Winning the race against decoherence
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-10-26
err27
errOAAI
errJenkins, Andrew J.; Vacher, Morgane; Twidale, Rebecca M.; Bearpark, Michael J.; Robb, Michael A.
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Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations (vol 144, 104110, 2016)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-03-29
err1
errOAAI
errJenkins, Andrew J.; Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A.
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Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-03-14
err35
errOAAI
errJenkins, Andrew J.; Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A.
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Electron and nuclear dynamics following ionisation of modified bismethylene-adamantane
errFARADAY DISCUSSIONS
IF3.1
err2016-01-01
err27
errOAAI
errVacher, Morgane; Albertani, Fabio E. A.; Jenkins, Andrew J.; Polyak, Iakov; Bearpark, Michael J.; Robb, Michael A.
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Electronic and non-adiabatic dynamics: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2016-01-01
err3
errOAAI
errOrr-Ewing, Andrew J.; Verlet, Jan R. R.; Penfold, Tom J.; Minns, Russell S.; Minitti, Michael P.; Solling, Theis I.; Schalk, Oliver; Kowalewski, Markus; Marangos, Jon P.; Robb, Michael A.; Johnson, Allan S.; Worner, Hans Jakob; Shalashilin, Dmitrii V.; Miller, R. J. Dwayne; Domcke, Wolfgang; Ueda, Kiyoshi; Weber, Peter M.; Cireasa, Raluca; Vacher, Morgane; Roberts, Gareth M.; Decleva, Piero; Bencivenga, Filippo; Neumark, Daniel M.; Gessner, Oliver; Stolow, Albert; Mishra, Pankaj Kumar; Polyak, Iakov; Baeck, Kyoung Koo; Kirrander, Adam; Dowek, Danielle; Jimenez-Galan, Alvaro; Martin, Fernando; Mukamel, Shaul; Sekikawa, Taro; Gelin, Maxim F.; Townsend, Dave; Makhov, Dmitry V.; Neville, Simon P.
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Geometric Rotation of the Nuclear Gradient at a Conical Intersection: Extension to Complex Rotation of Diabatic States
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-06-26
err20
errOAAI
errMeisner, Jan; Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A.
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Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-03-04
err47
errOAAI
errLi, Quansong; Mennucci, Benedetta; Robb, Michael A.; Blancafort, Lluis; Curutchet, Carles
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Electron dynamics upon ionization: Control of the timescale through chemical substitution and effect of nuclear motion
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-03-02
err41
errOAAI
errVacher, Morgane; Mendive-Tapia, David; Bearpark, Michael J.; Robb, Michael A.
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Communication: Oscillating charge migration between lone pairs persists without significant interaction with nuclear motion in the glycine and Gly-Gly-NH-CH3 radical cations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-05-27
err36
errOAAI
errVacher, Morgane; Bearpark, Michael J.; Robb, Michael A.
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Vertical transition energies vs. absorption maxima: Illustration with the UV absorption spectrum of ethylene
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2014-02-01
err22
PREAI
errLasorne, Benjamin; Jornet-Somoza, Joaquim; Meyer, Hans-Dieter; Lauvergnat, David; Robb, Michael A.; Gatti, Fabien
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Coupled electron-nuclear dynamics: Charge migration and charge transfer initiated near a conical intersection
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-07-25
err73
errOAAI
errMendive-Tapia, David; Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A.
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Conical Intersection Optimization Based on a Double Newton-Raphson Algorithm Using Composed Steps
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-02-07
err24
PREAI
errRuiz-Barragan, Sergi; Robb, Michael A.; Blancafort, Lluis
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How the Conical Intersection Seam Controls Chemical Selectivity in the Photocycloaddition of Ethylene and Benzene
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2012-11-28
err27
errOAAI
errSerrano-Perez, Juan J.; de Vleeschouwer, Freija; de Proft, Frank; Mendive-Tapia, David; Bearpark, Michael J.; Robb, Michael A.
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Towards converging non-adiabatic direct dynamics calculations using frozen-width variational Gaussian product basis functions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-11-27
err46
PREAI
errMendive-Tapia, David; Lasorne, Benjamin; Worth, Graham A.; Robb, Michael A.; Bearpark, Michael J.
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Research Directions

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Co-authors
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