Publications

  1. A First Proposal on the Nitrobenzene Photorelease Mechanism of NO2 and Its Relation to NO Formation through a Roaming Mechanism Giussani, A., Worth, G. A. J. Phys. Chem. Lett., 15(8), pp. 2216-2221 (2024). 
  2. Coupled Electron-Nuclear Dynamics Induced and Monitored with Femtosecond Soft X-ray Pulses in the Amino Acid Glycine Schwickert, D., Przystawik, A., Diaman, D., Kip, D., Marangos, J., Laarmann, T., J. Phys. Chem. A, 128(6), pp. 989-995 (2024). 
  3. A Theoretical Perspective on the Photochemistry of Boron-Nitrogen Lewis Adducts Marsili, E., Curchod, B.F.E., J. Phys. Chem. A, 14(51), pp. 11625-11631 (2024). 
  4. Quantum dynamics of excited state proton transfer in green fluorescent protein Bourne-Worster, S., Worth, G.A., J. Phys. Chem., 160(6), 065102 (2024). 
  5. Monitoring the Evolution of Relative Product Populations at Early Times during a Photochemical Reaction Figueira Nunes, J. P., Ibele, L. M., Pathak, S., Attar, A. R., Bhattacharyya, S., Boll, R., Borne, K., Centurion, M., Erk, B., Lin, M., Forbes, R. J. G., Goff, N., J. Am. Chem. Soc., 146(6), pp. 4134-4143 (2024). 
  6. Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane Borne, K. D., Cooper, J. C., Ashfold, M. N. R., Bachmann, J., Bhattacharyya, S., Boll, R., Bonanomi, M., Bosch, M., Callegari, C., Centurion, M., Coreno, M., Curchod, B. F. E., Nat. Chem., (2024).  
  7. Toward ultrafast soft x-ray spectroscopy of organic photovoltaic devices Garratt, D., Matthews, M., Marangos, J. Structural Dynamics, 11(1), 010901 (2024). 
  8. On the Nature of Geometric and Topological Phases in the Presence of Conical Intersections Ibele, L.M., Sangiogo Gil, E., Curchod, B.F.E., Agostini, F. J. Phys. Chem. Lett., 14(51), pp. 11625-11631 (2023). 
  9. Benchmarking non-adiabatic quantum dynamics using the molecular Tully models Gómez, S., Spinlove, E., Worth, G., Phys. Chem. Chem. Phys., 26(3), pp. 1829-1844 (2023). 
  10. On the description of conical intersections between excited electronic states with LR-TDDFT and ADC(2) I. J. Unwin, F. Allum, M. Britton, I. Gabalski, H. Bromberger, M. Brouard, P. H. Bucksbaum, T. Driver, N. Ekanayake, D. Garg, E. Gougoula, D. Heathcote, J. Chem. Phys., 159(21), 214115 (2023). 
  11. X-ray induced Coulomb explosion imaging of transient excited-state structural rearrangements in CS2 I. J. Unwin, F. Allum, M. Britton, I. Gabalski, H. Bromberger, M. Brouard, P. H. Bucksbaum, T. Driver, N. Ekanayake, D. Garg, E. Gougoula, D. Heathcote, Commun. Phys., 6(1), 309 (2023). 
  12. Propagating multi-dimensional density operators using the multi-layer-ρ multi-configurational time-dependent Hartree method Van Haeften, A., Ash, C., Worth, G., J. Chem. Phys., 159(19), 194114 (2023). 
  13. On the Wavelength-Dependent Photochemistry of the Atmospheric Molecule CF3COCl Janoš, J., Vinklárek, I. S., Rakovský, J., Mukhopadhyay, D. P., Curchod, B. F. E., Fárník, M., Slavíček, P., ACS Earth and Space Chem., 7(11), pp. 2275-2286 (2023). 
  14. Design and characterization of an optical-fiber-coupled laser-induced desorption source for gas-phase dynamics experiments Milešević, D., Popat, D., Gellersen, P., Liu, Z., Stimson, J., Robertson, P., Green, A., Vallance, C., Rev. Sci. Instrum., 94(11), 114105 (2023).  
  15. Characterizing the multi-dimensional reaction dynamics of dihalomethanes using XUV-induced Coulomb explosion imaging T. Walmsley, J. Unwin, F. Allum, S. Bari, R. Boll, K. Borne, M. Brouard, P. Bucksbaum, N. Ekanayake, B. Erk, R. Forbes, A. J. Howard, J. Chem. Phys., 159(14), 144302 (2023). 
  16. Direct momentum imaging of charge transfer following site-selective ionization Allum, F., Kumagai, Y., Nagaya, K., Harries, J., Iwayama, H., Britton, M., Bucksbaum, P. H., Burt, M., Brouard, M., Downes-Ward, B., Driver, T., Heathcote, D., Phys. Rev. A., 108(4), 043113 (2023).  
  17. The Solvent-Dependent Photophysics of Diphenyloctatetraene Polak, D. W., Hannon, A. D. P., Marczak Giorio, G. A., Hawkins, O. A., Oliver, T. A. A., J. Phys. Chem. B., 127(38), pp. 8199-8207 (2023). 
  18. Deciphering the Influence of Ground-State Distributions on the Calculation of Photolysis Observables A. Prlj, D. Hollas, B. F. E. Curchod, J. Phys. Chem. A., 127(35) pp. 7400-7409 (2023). 
  19. Photodissociation dynamics of tetrahydrofuran at 193 nm D. Milesevic, J. Stimson, D. Popat, P. Robertson, C. Vallance, Phys. Chem. Chem. Phys., 25(37) pp. 7126-7133 (2023). 
  20. Time-Resolved X-ray Photoelectron Spectroscopy: Ultrafast Dynamics in CS2 Probed at the S 2p Edge I. Gabalski, F. Allum, I. Seidu, M. Britton, G. Brenner, H. Bromberger, M. Brouard, P. Bucksbaum, M. Burt, J. Cryan, T. Driver, N. Ekanayake, J. Phys. Chem. Lett. 14(31) 7126-7133 (2023). 
  21. Probing the sensitivity of ab initio multiple spawning to its parameters Y. Lassmann, B. F. E. Curchod, Theor. Chem. Acc., 142(8) 66 (2023). 
  22. Atmospheric oxidation of new green solvents – Part 2: methyl pivalate and pinacolone Mapelli, C., Donnelly, J. K., Hogan, Ú. E., Rickard, A. R., Robinson, A. T., Byrne, F., Mcelroy, C. R., Curchod, B. F. E., Hollas, D. Dillon, T. J., Atmos. Chem. Phys., 23(13), pp. 7767-7779 (2023).  
  23. Development of High Throughput Microscope Mode Secondary Ion Mass Spectrometry Imaging F. Green, M. E. Castellani, Y. Jia, A. Eyres, N. Smith, S. Thompson, P. Blenkinsopp, M. Burt, C. Vallance, J. Bunch, Z. Takats, M. Brouard, Journal of the American Society for Mass Spectrometry, 34(7), 1272–1282 (2023). 
  24. Multiparticle Cumulant Mapping for Coulomb Explosion Imaging C. Cheng, L. Frasinski, G. Moǧol, F. Allum, A. J. Howard, D. Rolles, P. H. Bucksbaum, M. Brouard, R. Forbes, T. Weinacht, Phys. Rev. Lett., 130(9), 093001 (2023). 
  25. Wavelength dependent mechanism of phenolate photooxidation in aqueous solution K. Robertson, W. G. Fortune, J. A. Davies, A. N. Boichenko, M. S. Scholz, O. Tau, A. V. Bochenkova, H. Fielding, Chem. Sci., 14(12), pp. 3257–3264 (2023). 
  26. Extending the Applicability of the Multiple-Spawning Framework for Nonadiabatic Molecular Dynamics Y. Lassmann, D. Hollas, B. F. E. Curchod, J. Phys. Chem. Lett. 13(51), 12011–12018 (2022). 
  27. UV Photoelectron Spectroscopy of Aqueous Solutions W. G. Fortune, M. S. Scholz, H. H. Fielding, Acc. Chem. Res. 55(27), 3631–3640 (2022). 
  28. On the photorelease of nitric oxide by nitrobenzene derivatives: A CASPT2//CASSCF model A. Giussani and G. A. Worth, J. Chem. Phys. 157, 204301 (2022). 
  29. Photoionization and Photofragmentation Dynamics of I2in Intense Laser Fields: A Velocity-Map Imaging Study F. Allum, J. McManus, O. Denby, M. Burt, M. Brouard, J. Phys. Chem. A, 126(46), 8577–8587 (2022). 
  30. Photodissociation dynamics of N,N-dimethylformamide at 225 nm and 245 nm D. Milesevic, D. Popat, P. Robertson and C. Vallance, Phys. Chem. Chem. Phys., 24, 28343-28352 (2022). 
  31. Photodynamics of Gas-Phase Pyruvic Acid Following Light Absorption in the Actinic Region L. Hutton and B. F. E. Curchod, ChemPhotoChem, 6(11), e202200151 (2022). 
  32. Charge-Separated Reactive Intermediates from the UV Photodissociation of Chlorobenzene in Solution K. Min-Hsien and A. J. Orr-Ewing, J. Phys. Chem. A, 126(39), 6934–6943 (2022). 
  33. A Theoretical Perspective on the Actinic Photochemistry of 2-Hydroperoxypropanal E. Marsili, A. Prlj, B. F. E. Curchod, J. Phys. Chem. A, 126(32), 5420–5433 (2022). 
  34. Accurate Vertical Ionization Energy of Water and Retrieval of True Ultraviolet Photoelectron Spectra of Aqueous Solutions M. S. Scholz, W. G. Fortune, O. Tau, H. H. Fielding, J. Phys. Chem. Lett., 13(30), 6889–6895 (2022). 
  35. The kinetic energy of PAH dication and trication dissociation determined by recoil-frame covariance map imaging Lee, J. W. L., Tikhonov, D. S., Allum, F., Boll, R., Chopra, P., Erk, B., Gruet, S., He, L., Heathcote, D., Kazemi, M. M., Lahl, J., Lemmens, A. K., Phys. Chem. Chem. Phys., 24, 23096-23105 (2022). 
  36. Fragmentation Dynamics of Fluorene Explored Using Ultrafast XUV-Vis Pump-Probe Spectroscopy Garg, D., Lee, J. W. L., Tikhonov, D. S., et al., Frontiers in Physics, 10:880793 (2022). 
  37. UV-induced dissociation of CH2BrI probed by intense femtosecond XUV pulses Köckert, H., Lee, J. W. L., Allum, F. et al., J. Phys. B: At. Mol. Opt. Phys., 55, 014001 (2022). 
  38. Disentangling sequential and concerted fragmentations of molecular polycations with covariant native frame analysis McManus, J. W., Walmsley, T., Nagaya, K., Harries, J. R., Kumagai, Y., Iwayama, H., Ashfold, M. N. R., Britton, M., Bucksbaum, P. H., Downes-Ward, B., Driver, T., Heathcote, D., Phys. Chem. Chem. Phys., 24, 22699-22709 (2022). 
  39. Solvent Effects on Ultrafast Photochemical Pathways Venkatraman, R. K., and Orr-Ewing, A. J., Acc. Chem. Res., 54, 4383-4394 (2021). 
  40. Time-resolved relaxation and fragmentation of polycyclic aromatic hydrocarbons investigated in the ultrafast XUV-IR regime Lee, J. W. L., Tikhonov, D. S., Chopra, P., et al., Nat. Commun., 12, 6107 (2021). 
  41. Multi-Particle Three-Dimensional Covariance Imaging: “Coincidence” Insights into the Many-Body Fragmentation of Strong-Field Ionized D2O Allum, F., Cheng, C., Howard, A. J., Bucksbaum, P. H., Brouard, M., Weinacht, T., and Forbes, R., J. Phys. Chem. Lett., 12, 8302-8308 (2021). 
  42. Direct observation of ultrafast exciton localization in an organic semiconductor with soft X-ray transient absorption spectroscopy D. Garratt, L. Misiekis, D. Wood, E. W. Larsen, M. Matthews, O. Alexander, P. Ye, S. Jarosch, C. Ferchaud, C. Strüber, A. S. Johnson, A. A. Bakulin, T. J. Penfold & J. P. Marangos, Nat. Commun., 13, 3414 (2022).