Michael A Robb

9PUBLICATIONS
10CO-AUTHORS
Theoretical quantum chemistryReaction kinetics and dynamicsRadiation and matterElectrical energy generation (incl. renewables, excl. photovoltaics)Nonlinear optics and spectroscopy
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Publications (9)

|Jan 11, 2025
Coherent Excitation of the CH Stretching Vibrations in C2H4 +: The Role of the Derivative Coupling Studied by the Quantum Ehrenfest Method.

Thierry Tran, Graham A Worth, Michael A Robb

|Nov 27, 2024
Real-Time CASSCF (Ehrenfest) Modeling of Electron Dynamics in Organic Semiconductors. Dynamics Reaction Paths Driven by Quantum Coherences. Application to a Radical Organic Semiconductor.

Mercè Deumal, Jordi Ribas-Ariño, Cristina Roncero

|Jun 25, 2024
Controlling Electronic Coherences and the Curvature Induced by the Derivative Coupling at a Conical Intersection: A Quantum Ehrenfest (QuEh) Protocol for Reaction Path Following Application to "Channel 3" Benzene Photochemistry.

Graham A Worth, Michael A Robb

|Jun 26, 2023
Coherent Mixing of Singlet and Triplet States in Acrolein and Ketene: A Computational Strategy for Simulating the Electron-Nuclear Dynamics of Intersystem Crossing.

Don Danilov, Andrew J Jenkins, Michael J Bearpark

|Jan 25, 2023
Control of nuclear dynamics in the benzene cation by electronic wavepacket composition.

Thierry Tran, Graham A Worth, Michael A Robb

|Jul 01, 2022
How electronic superpositions drive nuclear motion following the creation of a localized hole in the glycine radical cation.

Don Danilov, Thierry Tran, Michael J Bearpark

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Frequent Collaborators

6 joint publications

Graham A Worth

3 joint publications

Thierry Tran

2 joint publications

Don Danilov

1 joint publications

K Eryn Spinlove