Research
Welcome to the research page for the New Directions in Molecular Scattering programme, here we will display our latest results and publications.
Results
We will update this page regularly with new results from the program, and you can always see our previous and other on-going research on our individual webpages:
Prof. Ken McKendrick (PI) http://dynamics.eps.hw.ac.uk/KGMK/index.php
Prof. Mark Brouard http://brouard.chem.ox.ac.uk
Prof. Matt Costen http://dynamics.eps.hw.ac.uk/MLC/index.php
Dr Stuart Greaves http://dynamics.eps.hw.ac.uk/SJG/index.php
Prof. Stuart Mackenzie http://mackenzie.web.ox.ac.uk
Prof. Martin Paterson
Prof. Claire Vallance http://vallance.chem.ox.ac.uk
Publications
- H. Köckert, D. Heathcote, J. W. L. Lee & C. Vallance, ‘Covariance-map imaging study into the fragmentation dynamics of multiply charged CF3I formed in electron-molecule collisions’, Molecular Physics, published online 4 Sep 2020. DOI:10.1080/00268976.2020.1811909
- H. Köckert, A. S. Gentleman, J. Pickering, S. R. Mackenzie, ‘A velocity map imaging study of multiphoton photodissociation and photoionisation dynamics in niobium oxide, NbOH’, Molecular Physics, in press 15 Sep 2020. DOI:10.1080/00268976.2020.1821924
- Heid C, Bentham I, Walpole V, Gheorghe R, Jambrina P, Aoiz F, Brouard M, ‘Probing the location of the unpaired electron in spin-orbit changing collisions of NO with Ar.’, Physical chemistry chemical physics : PCCP, 22 (39), pp. 22289-22301, first published 9 Sep 2020. DOI:10.1039/D0CP04228E
- Cunningham E, Green A, Meizyte G, Gentleman A, Beardsmore P, Schaller S, Pollow K, Saroukh K, Förstel M, Dopfer O, Schöllkopf W, Fielicke A, Mackenzie S, (2021). ‘Infrared action spectroscopy of nitrous oxide on cationic gold and cobalt clusters’. Phys. Chem. Chem. Phys., 2021,23, 329-338, first published 8 Dec 2020. DOI:10.1039/D0CP05195K
- Prentice AW, Wildman J, Galbraith I, Paterson MJ. (2020). Properties of Conjugated Materials from Quantum Chemistry Coupled to Molecular Dynamics Generated Ensembles.. The journal of physical chemistry. A, 124 (51), pp. 10667-10677. DOI: 10.1021/acs.jpca.0c07213
- Heid CG, Bentham IP, Walpole V, Jambrina PG, Aoiz FJ, Brouard M. (2021). Controlling the Spin-Orbit Branching Fraction in Molecular Collisions.. The journal of physical chemistry letters, 12 (1), pp. 310-316.
- Vallance C, Heathcote D, Lee JWL. (2021). Covariance-Map Imaging: A Powerful Tool for Chemical Dynamics Studies.. The journal of physical chemistry A. https://doi.org/10.1021/acs.jpca.0c10038
- Martin J. Paterson, Dave Townsend, (2020). Rydberg-to-valence evolution in excited state molecular dynamics. International Reviews in Physical Chemistry. https://doi.org/10.1080/0144235X.2020.1815389
- Thomas Malcomson, Martin J. Paterson, (2020). Theoretical determination of two-photon absorption in biologically relevant pterin derivatives.. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 19 (11), pp. 1538-1547. https://doi.org/10.1039/D0PP00255K
- Lee J, Köckert H, Heathcote D, Popat D, Chapman R, Karras G….. Vallance C, (2020). Three-dimensional covariance-map imaging of molecular structure and dynamics on the ultrafast timescale. Communications Chemistry. http://dx.doi.org/10.1038/s42004-020-0320-3
- Forbes R, Allum F, Bari S, Boll R, Borne K, Brouard M….. Burt M, (2020). Time-resolved site-selective imaging of predissociation and charge transfer dynamics: the CH 3 I B-band. Journal of Physics B: Atomic, Molecular and Optical Physics. http://dx.doi.org/10.1088/1361-6455/abb1fd
- Zhou W, Ge L, Cooper G, Crane S, Evans M, Ashfold M, Vallance C, (2020). Coulomb explosion imaging for gas-phase molecular structure determination: An ab initio trajectory simulation study.. The Journal of chemical physics, 153 (18), pp. 184201. http://dx.doi.org/10.1063/5.0024833
- Allum F, Anders N, Brouard M, Bucksbaum P, Burt M, Downes-ward B….. Forbes R, (2020). Multi-channel photodissociation and XUV-induced charge transfer dynamics in strong-field-ionized methyl iodide studied with time-resolved recoil-frame covariance imaging. Faraday Discussions. http://dx.doi.org/10.1039/d0fd00115e
- C. Vallance, D. Heathcote, and J. W. L. Lee, Covariance mapping: a powerful tool for chemical dynamics studies, J. Phys. Chem. A, 125, 1117-1133 (2021) DOI: 10.1021/acs.jpca.0c10038