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Sunlight-Induced Nonadiabatic Dynamics of Atmospheric Molecules

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Publications

SSAIMS – Stochastic-Selection Ab Initio Multiple Spawning for Efficient Nonadiabatic Molecular Dynamics

Author(s): Basile F. E. Curchod, William J. Glover, Todd J. Martínez
Published in: The Journal of Physical Chemistry A, 2020, ISSN 1089-5639
DOI: 10.1021/acs.jpca.0c04113

Geometric and electronic structure probed along the isomerisation coordinate of a photoactive yellow protein chromophore

Author(s): Cate S. Anstöter, Basile F. E. Curchod, Jan R. R. Verlet
Published in: Nature Communications, Issue 11/1, 2020, Page(s) 2827, ISSN 2041-1723
DOI: 10.1038/s41467-020-16667-x

Excited-state dynamics of molecules with classically driven trajectories and Gaussians

Author(s): Lea M. Ibele, Angus Nicolson, Basile F. E. Curchod
Published in: Molecular Physics, Issue 118/8, 2020, Page(s) e1665199, ISSN 0026-8976
DOI: 10.1080/00268976.2019.1665199

On the Theoretical Determination of Photolysis Properties for Atmospheric Volatile Organic Compounds

Author(s): Antonio Prlj, Lea M. Ibele, Emanuele Marsili, Basile F. E. Curchod
Published in: The Journal of Physical Chemistry Letters, 2020, Page(s) 5418-5425, ISSN 1948-7185
DOI: 10.1021/acs.jpclett.0c01439

Tracking the ultraviolet-induced photochemistry of thiophenone during and after ultrafast ring opening

Author(s): Shashank Pathak, Lea M. Ibele, Rebecca Boll, Carlo Callegari, Alexander Demidovich, Benjamin Erk, Raimund Feifel, Ruaridh Forbes, Michele Di Fraia, Luca Giannessi, Christopher S. Hansen, David M. P. Holland, Rebecca A. Ingle, Robert Mason, Oksana Plekan, Kevin C. Prince, Arnaud Rouzée, Richard J. Squibb, Jan Tross, Michael N. R. Ashfold, Basile F. E. Curchod, Daniel Rolles
Published in: Nature Chemistry, 2020, ISSN 1755-4330
DOI: 10.1038/s41557-020-0507-3