Publications

  1. Photoinduced Enhancement of Chemical Shift Sensitivity to Local Vibrations, Gutierrez, A. M., Alexander, O., Alonso, P. E., Paolini, L., Mullins, T., Al-Haddad, A., Baumann, T. M., Boll, R., Bostedt, C., Dold, S., De Fanis, A., Geloni, G., Ilchen, M., Ismail, I., Lautenschlager, B., Mazza, T, Moonshiram, D., Oberli, S., Peng, D., Puttner, R., Serkez, S., Simon, M., Trinter, F., Usenko, S., Meyer, M., Marangos, J. P., Gonzalez-Bazquez, J., Rivas, D. E., and Picon, A., J. Am. Chem. Soc., 148(29), pp. 30653-31592, (2026). 
  2. Attosecond response of molecules to impulsive ionization, Driver, T., Guo, Z., Isele, E., Grell, G., Ruberti, M., O’Neal, J. T., Alexander, O., Beauvarlet, S., Cesar, D., Duris, J., Garratt, D., Larsen, K. A., Li, S., Kolorenc, P., McCracken, G. A., Tuthill, D., Wang, Z., Berrah, N., Bostedt, C., Borne, K., Cheng, X., DiMauro, L. F., Doumy, G., Franz, P. L., Kamalov, A., Li, X., Lin, M-F, Obaid, R., Picon, A., Robles, R. R., Rolles, D., Rudenko, A., Shaikh, M., Slaughter, D. S., Sudar, N. S., Thierstein, E., Ueda, K., Wang, E., Wang, A. L., Weber, T., Wolf, T. J. A., Young, L., Zhang, Z., Averbukh, V., Gessner, O., Bucksbaum, P. H., Kling, M. F., Palacios, A., Martin, F., Marangos, J. P., Walter, P., Marinelli, A., and Cryan, J. P., Nature Physics, (2026). 
  3. Perspective on a challenge – predicting the photochemistry of cyclobutanone, Janoš, J., Holmgaard List, N., Orr-Ewing, A. J., Suchan, J., Barbatti, M., Bennett, O., Brady, M., Carmona-Garcia, J., Crespo-Otero, R., Eng, J., Fajen, O. J., Garavelli, M., Gomez, S., Green, A. E., Hernandez, F. J., Hollas, D., Hutton, L., Ibele, L. M., Kirrander, A., Lan, Z., Lassmann, Y., Lawrence, J. E., Levine, B. G., Makhov, D. V., Mannouch, J. R., Miao, X., Mitric, R., Parker, S. M., Penfold, T. J., Peng, J., Shalashilin, D., Slavíček, P., Spinlove, K. E., Vindel-Zandbergen, P., Agostini, F., Bonella, S., Martinez, T. J., Worth, G. A., and Curchod, B. F. E. Accepted for publication in J. Chem. Phys., (2026). 
  4. Ultrafast RIXS Reveals Excited State Orbital and Spin Character of Solvated Organic Molecules, Garratt, D., Freibert A., Kunnus, K., Hoffman, D. J., Bain, M., Poulter, B. I., Hampton, C., Dakovski, G., Coslovich, G., Bionta, M. R., Nelson, K. J., Alexander, O., Biswas, S., Coriani, S., Egun, F., Jost, D., Kabanova, V., Kubicek, K., Kurucz, M., Nimmrich, A., Ogasawara, H., Rana, D., Sachs, M., Shen, L., Yang, Z., Yin, Z., Wörner, H. J., Vendrell, O., Marangos, J. P., Kling, M., Wernet, P., Nibbering, E. T. J., Cordones, A. A., Huse, N., Wolf, T. J. A., and Gaffney, K., ChemRxiv, (2026). 
  5. Liquid-microjet photoelectron spectroscopy of the photoactive yellow protein chromophore in aqueous solution, Simonetti, E., Boichenko, A. N., Rademacher, J., Henley, A., Robertson, K., Kaur, H., Malerz, S., Wilkinson, I., Winter, B., Bochenkova, A. V., and Fielding, H. H., J. Phys. Chem. A. In press. (2026).  
  6. Supramolecular Control of Dual Emission in Macrocycle-Confined Dimers, Yang, T., Jones, J.F., Zhang, S., Li, B., Li, S., Yu, Y., Sun, Y., Liu, H., Yang, B., Oliver, T.A.A., Wu, G., JACS Au, 6(5), pp. 3059-3066, (2026). 
  7. Photobleaching of Imidazole Brown Carbon in Single Levitated Aerosol Particles, Zhang, X., Meehan, P. E., Knight, J. W., Orr-Ewing, A. J., and Cotterell, M. I., J. Phys. Chem A, 130(23), pp. 4401-4410, (2026). 
  8. Best practices for nonadiabatic molecular dynamics simulations [Article v1.0], Prlj, A., Taylor, J. T., Janoš, J., Lognon, E., Hollas, D., Slavíček, P., Agostini, F., Curchod, B. F. E., Living J. Comp. Mol. Sci., 7, 4157, (2026). 
  9. The inner-shell ionization and fragmentation of selenophene at 120 eV Walmsley, T., Allum, F., Harries, J.R., Kumagai, Y., McManus, J.w., Nagaya, K., Britton, M, Brouard, M., Bucksbaum, P.H., Fushitani, M., Gabalski, I., Gejo, T., Hockett, P., Howard, A.J., Iwayama, H., Kukk, E., Lan, C-S., Minns, R.S., Niozu, A., Nishimuro, S., Niskamen, J., Owada, S., Razmus, W.O., Rolles, D., Somper, J.D., Ueda, K., Unwin, J., Wada, S-I., Woodhouse, J.L., Forbes, R., Burt, M., Warne, E.M., Scientific Reports, 16, 9442 (2026).
  10. Imaging Three-Dimensional Molecular Structure and Dynamics with Multiparticle Covariance and Cumulant Coulomb Explosion Analysis Cheng, C., Kumagai, Y., Nagaya, K., Gejo, T., Harries, J., Burt, M., Brouard, M., Duley, A., Hockett, P., McManus, J.W., Minns, R., Mondal, S., Owada, S., Razmus, W., Rolles, D., Sato, T., Thomspon, H.J., Venkatachalam, A.S., Warne, E.M., Walmsley, T., Yagi, M., Bucksbaum, P., Allum, F., Forbes, R., J. Phys. Chem. Lett., 17(12), pp. 3605-3616 (2026).
  11. Mathematical inversion of covariance-map images to determine three-dimensional product scattering distributions Metherall, B., Please, C.P., Heathcote, D., Vallance, C., J. Chem. Phys., 164 (11), 114110 (2026). 
  12. High-Resolution Microscope-Mode Secondary Ion Mass Spectrometry Imaging Jia, Y., Castellani, M.E., Cheung, K., Su, Y., Burt, M., Blenkinsopp, P., Green, F.M., Brouard, M., J. Am. Chem. Soc., 98 (9), pp. 7028 –7037 (2026). 
  13. Quantum dynamics study of photodissociation in phenol–water clusters Mant, B. P., Tran, T., Gómez, S., Cigrang, L. L.E., Worth, G. A., J. Chem. Phys., 164(8), 084701 (2026).  
  14. Fragmentation dynamics of CS2 dications and trications following S 2p ionization, Allum, F., Lam, C. -S., Erk, B., Bromberger, H., Bucksbaum, P. H., Britton, M., Burt, M., Ekanayake, N., Gabalski, I., Garg, D., Gougoula, E., Heathcote, D., Howard, A. J., Hockett, P., Holland, D. M. P., Kumar, S., Lee, J. W. L., McManus, J., Mikosch, J., Milesevic, D., Minns, R. S., Papadopoulou, C. C., Passow, C., Razmus, W. O., Röder, A., Rolles, D. Rouzée, A., Schuurman, M. Simao, A., Stolow, A., Tul-Noor, A., Unwin, J., Vallance, C., Walmsley, T., Brouard, M., and Forbes, R., J. Chem. Phys., 164(2), 024304 (2026). 
  15. Unravelling real-time chemical shifts in the ultrafast regime Rivas, D. E., Paoloni, L., Boll, R., De Fanis, A., Martinez Gutierrez, A., Mazza, T., Oberli, S., Alexander, O., Al-Haddad, A., Baumann, T. M., Bostedt, C., Dold, S., Geloni, G., Ilchen, M., Moonshiram, D., Rolles, D., Rudenko, A., Schmidt, P., Serkez, S., Usenko, S., Martin Pendas, A., Meyer, M., Gonzalez-Vazquez, J., and Picon, A., Physical Review X, 16, 011051, (2026).
  16. A multimass velocity-map and covariance-map imaging study into the dissociative electron ionisation dynamics of carbonyl sulphide (OCS) Lomas, J., Heathcote, D., Milesevic, D., Robertson, P., de Matos Loja A., Robertson, C., Paterson, M., and Vallance, C., J. Phys. B., 58, 015202, (2025).
  17. Ultrafast ring-opening dynamics of 1,2-dithiane following UV absorption Robertson, P. A., Merrick, J., Heathcote, D., Robinson, M. S., Butler, A., Biddick, Y., Pedro Nunes, J. F., Rankine, C., Liu, Z., Arrowsmith, S., Thompson, J. O. F., Murty Madugula, N., Chapman, R., Springate, E., Anderson, E. A., Kirrander, A., and Vallance, C., Chem. Phys. Lett., 871, 142095, (2025).
  18. The femtochemistry of nitrobenzene following excitation at 240 nm Lam, C. -S., Chou, T. -C., McManus, J., Burt, M., Brouard, M., Comms. Chem., 8(1), 268, (2025). 
  19. Wavelength-dependent photodissociation of iodomethylbutane Music, V., Allum, F., Inhester, L., Schmidt, P., Boll, R., Bari, S., Baumann, T. M., Brenner, G., Brouard, M.,  Burt, M., Demekhin, P. V., Dörner, S., Ehresmann, A., Galler, A., Grychtol, P.,  Heathcote, D., Kargin, D., Larsson, M., Lee, J. W. L., Li, Z., Manschwetus, B., Marder, L., Mason, R., Meyer, M., Otto, H., Passow, C., Pietschnig, R., Ramm, D., Rolles, D., Schubert, K., Schwob, L., Thomas, R. D., Vallance, C., Vidanović, I., von Korff Schmising, C., Wagner, R., Walter, P., Zhaunerchyk, V., Erk, B., and Ilchen, M., Scientific Reports, 15, 20139 (2025).
  20. The Singlet–Triplet Gap of Pyruvic Acid Burrow, E. M., Carmona-García, J., Clarke, C. J., Curchod, B. F. E., Verlet, J. R. R., J. Am. Chem. Soc., 147(41), pp. 36987–36991 (2025). 
  21. Visualizing the Three-Dimensional Arrangement of Hydrogen Atoms in Organic Molecules by Coulomb Explosion Imaging Green, A. E., Chen, K., Bhattacharyya, S., Boll, R., Rolles, D., J. Am. Chem. Soc., 147(41), pp. 37133–37143 (2025).  
  22. The Crucial Role of Solvent and Bound Oxygen on the Interplay of Cerium (III) and Cerium (IV) Chloride in a Photocatalytic Cycle for Organic Transformations Venkatraman, R. K., Ghosh, D., Tolba, A. H., Orr-Ewing, A. J., El-Zohry, A. M., Angew. Chem., Int. Ed., (2025). 
  23. Benchmarking Electronic-Structure Methods for the Description of Dark Transitions in Carbonyls at and Beyond the Franck–Condon Point Bone, J., Carmona-García, J., Hollas, D., Curchod, B. F. E., J. Phys. Chem. A., 129(40), pp. 9355–9367 (2025).  
  24. Time-resolved momentum imaging of UV photodynamics in structural isomers of iodopropane probed by site-selective XUV ionization, Allum, F., Kumagai, Y., Nagaya, K., Harries, J. R., Iwayama, H., Britton, M., Bucksbaum, P. H., Burt, M., Brouard, M., Downes-Ward, B., Driver, T., Heathcote, D., Hockett, P., Joward, A. J., Lee, J. W. L., Liu, Y., Kukk, E., McManus, J. W., Milesevic, D., Minns, R. S., Niozu, A., Niskanen, J., Orr-Ewing, A. J., Owada, S., Robertson, P., Rolles, D., Rudenko, A., Ueda, K., Unwin, J., Vallance, C., Walmsley, T., Ashfold, M. N. R., Forbes, R., Phys. Chem. Chem. Phys., 27(38), pp. 20602–20613 (2025).
  25. Triplets in the cradle: ultrafast dynamics in a cyclic disulfide Merrick, J., Hutton, L., Cooper, J. C., Vallance, C., Kirrander, A., Phys. Chem. Chem. Phys, 27(36), pp. 19192–19203 (2025). 
  26. Dynamic Equilibrium between the Fluorescent State of Tryptophan and Its Cation-Electron Ion Pair Governs Triplet State Population Kumar, R., Khan, S., Ghosh, D., Orr-Ewing, A. J., Fielding, H. H., J. Am. Chem. Soc., 147(35), pp. 32064–32076 (2025).  
  27. How a toxic pollutant avoids photodegradation: Relaxation pathways of UV-excited 2,4-dinitrophenol in aqueous solution Greene, H. J. M., Ghosh, D., Sazanovich, I. V., Curchod, B. F. E., Orr-Ewing, A. J., Proc Natl Acad Sci USA, 122(32), e2504123122 (2025). 
  28. Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics, Cigrang, L. L. E., Curchod, B. F. E., Ingle, R. A., Ibele, L. M., Prlj, A., J. Phys. Chem. A, 129(31), pp. 7023–7050 (2025). 
  29. Retrieval of Genuine Ultraviolet Liquid-Microjet Photoelectron Spectra, Simonetti, E., Fielding, H. H., J. Phys. Chem. A, 129(24), pp. 5292–5299 (2025). 
  30. Persistent Boryl Radicals as Highly Reducing Photoredox Catalysts for Debrominative Borylations, Wu, J., Wang, H., Fang, H., Noble, A., Aggarwal, V. K., J. Am. Chem. Soc., 147(23), pp. 19450–19457 (2025). 
  31. Imaging the photochemistry of cyclobutanone using ultrafast electron diffraction: Experimental results, Green, A. E., Liu, Y., Allum, F., Zhao, H., Wolf, T. J. A., J. Chem. Phys., 162(18), 184303 (2025). 
  32. Attosecond physics and technology, Alexander, O., Ayuso, D., Matthews, M., Weaver, B., Marangos, J. P., App. Phys. Lett., 126(17), 170501 (2025). 
  33. Two-Dimensional Electronic Spectroscopy of Rhodamine 700 Using an 8 fs Ultrabroadband Laser Source and Full-Wavelength Reference Detection Gajo, C., Jordan, C. J. C., Oliver, T. A. A., J. Phys. Chem. A., (2025). 
  34. A Sensor Employing an Array of Silicon Photomultipliers for Detection of keV Ions in Time-of-Flight Mass Spectrometry Mariscal-Castilla, A., Piller, M., Alozy, J., Ballabriga, R., Campbell, M., de la Torre, O., Gascón, D., Gómez, S., Heathcote, D., Mauricio, J. Milesevic, D., Sanuy, A., Sensors, 25 (5), 1581 (2025).  
  35. Selecting Initial Conditions for Trajectory-Based Nonadiabatic Simulations Janoš, J., Slavíček, P., Curchod, B. F. E., J. Acc. Chem. Res. 58 (2), pp. 261 – 270 (2025).  
  36. Assessing Nonadiabatic Dynamics Methods in Long Timescales Mukherjee, S., Lassmann, Y., Mattos, R. S., Demoulin, B., Curchod, B. F. E., Barbatti, M., J. Phys. Chem. A., 21 (1), pp. 29-37 (2025).  
  37. Confinement and Catalysis within De Novo Designed Peptide Barrels Petrenas, R., Hawkins, O. A., Jones, J. F., Scott, D. A., Fletcher, J. M., Obst, U., Lombardi, L., Pirro, F., Leggett, G. J., Oliver, T. A. A., Woolfson, D. N.,  J. Am. Chem. Soc. (2025). 
  38. Ultrafast Excited-State Dynamics of the Organic Photoredox Catalyst DDQ, Ghosh, D., Brieskorn, V., Smith, C. A., Curchod, B. F. E., Orr-Ewing, A. J., J. Phys. Chem. Let., 16, pp. 9748-9752 (2025).  
  39. Two-Dimensional Electronic Spectroscopy of Rhodamine 700 Using an 8 fs Ultrabroadband Laser Source and Full-Wavelength Reference Detection, Gajo, C., Jordan, C. J. C., Oliver, T. A. A., J. Phys. Chem. A, 129(15), pp. 3537–3551 (2025). 
  40. Attosecond impulsive stimulated X-ray Raman scattering in liquid water Alexander, O., Egun, F., Rego, L., Gutierrez, A. M., Garratt, D., Cardenes, G. A., Nogueira, J. J., Lee, J. P., Zhao, K., Wang, R., Ayuso, D., Barnard, J. C. T., Marangos, J. P., Science Advances, 10(39), eadp0841 (2024). 
  41. Core and valence photoelectron spectroscopy of a series of substituted disulfides McGhee,  H. G., Totani, R. B., Plekan, O., Coreno, M., de Simone, M., Mumtaz, A., Singh S., Schroeder, B. C., Curchod, B. F. E., Ingle, R. A., J. Chem. Phys., 161(13), 134303t (2024). 
  42. Distinguishing the XUV-induced Coulomb explosion dynamics of iodobenzene using covariance analysis Walmsley, T., Allum, Felix., Harries, J. R., Kumagai, Y., Lim, S., McManus, J., Nagaya, K., Britton, M., Brouard, M., Bucksbaum, P., Fushitani, M., Gabalski, I., Lam, C. S., J. Phys. B: At. Mol. Opt. Phys. 57 (23), 235101 (2024). 
  43. Exchange, promiscuity, and orthogonality in de novo designed coiled-coil peptide assemblies Kurgan, K. W., Martin, F. J. O., Dawson, W. M., Brunnock, T., Orr-Ewing, A. J., Woolfson, D. N., Chem. Sci. 16 (4), pp. 1826-1836 (2024). 
  44. Nile Red Fluorescence: Where’s the Twist? Gajo, C., Shchepanovska, D., Jones, J. F., Karras, G., Malakar, P., Greetham, G. M., Hawkins, O. A., Jordan, C. J. C., Curchod, B. F. E., Oliver, T. A. A., J. Phys. Chem. B. 128 (47), pp. 11768-11775 (2024). 
  45. Time-Resolved Probing of the Iodobenzene C-Band Using XUV-Induced Electron Transfer Dynamics Unwin, J., Razmus, W. O., Allum, F., Harries, J. R., Kumagai, Y., Nagaya, K., Britton, M., Brouard, M., Bucksbaum, P., Fushitani, M., Gabalski, I., Gejo, T., ACS Phys. Chem. Au 4 (6) pp. 620-631 (2024). 
  46. Efficient ground-state recovery of UV-photoexcited p-nitrophenol in aqueous solution by direct and multi-step reaction pathways Ghosh, D. K., Spinlove, E., Greene, H. J. M., Lau, M.,  Gómez, S., Kao, M., Whitaker, W., Clark, I. P., Malakar, P., Worth, G. A., Oliver, T. A. A., Fielding, H. H., Orr-Ewing, A. J., J. Am. Chem. Soc. 146, 30443 – 30454 (2024). 
  47. Including Photoexcitation Explicitly in Trajectory-Based Nonadiabatic Dynamics at No Cost Janoš, J., Slavíček, P., Curchod, B. F. E., J. Phys. Chem. Lett. 15 (42), 10614 – 10622 (2024). 
  48. AtmoSpec-A Tool to Calculate Photoabsorption Cross-Sections for Atmospheric Volatile Organic Compounds Hollas, D., Curchod, B. F. E., J. Phys. Chem. A., 128(39), pp. 8580–8590 (2024).  
  49. The “simple” photochemistry of thiophene Parkes, M. A., Worth, G. A., J. Phys. Chem., 161(11), 114305 (2024). 
  50. Few-femtosecond soft X-ray transient absorption spectroscopy with tuneable DUV-Vis pump pulses Lee, J. P., Avni, T., Alexander, O., Maimaris, M., Ning, H., Bakulin, A., Burden, P., Moutoulas, E., Georgiadou, D. G., Brahms, C., Travers, J. C., Marangos, J. P., Optica, 11(9), pp. 1320–1323 (2024). 
  51. Competing Nonadiabatic Relaxation Pathways for Near-UV Excited ortho-Nitrophenol in Aqueous Solution Greene, H. J. M., Ghosh, D., Sazanovich, I. V., Phelps, R., Curchod, B. F. E.,  Orr-Ewing, A. J., J. Phys. Chem. Lett., 15, 9153-9159 (2024). 
  52. Perspective on Theoretical and Experimental Advances in Atmospheric Photochemistry  Curchod, B. F. E., Orr-Ewing, A. J., J. Phys. Chem. A., 128(32), 6613-6635 (2024). 
  53. Femtosecond to Microsecond Observation of Photochemical Pathways in Nitroaromatic Phototriggers Using Transient Absorption Spectroscopy Whitaker, W., Ghosh, D., Malakar, P., Karras, G., Orr-Ewing, A. J., J. Phys. Chem. A., 128(29), 5892-5905 (2024). 
  54. Synthesis, Photophysical and Electronic Properties of a D-π-A Julolidine-Like Pyrenyl-o-Carborane Krebs, J., Brändler, L., Krummenacher, I., Friedrich, A., Braunschweig, H., Finze, M., Curchod, B. F. E., Marder, T. B., Chem. Eur. J., 30(41), e202401704 (2024). 
  55. Concluding remarks: Reflections on the Faraday Discussion on New Directions in Molecular Scattering Brouard, M., Faraday Discuss. 251, 666-675 (2024). 
  56. On the Topological Phase around Conical Intersections with Tamm-Dancoff Linear-Response Time-Dependent Density Functional Theory Taylor, J. T., Tozer, D. J., Curchod, B. F. E., J. Phys. Chem. A., 128(27), pp. 5314-5320 (2024). 
  57. The Role of Momentum Partitioning in Covariance Ion Imaging Analysis Walmsley, T., McManus, J. W., Kumagai, Y., Nagaya, K., Harries, J., Iwayama, H., Ashfold, M. N. R., Britton, M., Bucksbaum, P. H., Downes-Ward, B., Driver, T., Heathcote, D., Hockett, P., Howard, A. J., Lee, J. W. L., Liu, Y., Kukk, E., Milesevic, D., Minns, R. S., Niozu, A., Niskanen, J., Orr-Ewing, A. J., Owada, S., Robertson, P. A., Rolles, D., Rudenko, A., Ueda, K., Unwin, J., Vallance, C., Brouard, M., Burt, M., Allum, F., Forbes, R., J. Phys. Chem. A., 128(22), 4548-4560 (2024). 
  58. Non-adiabatic direct quantum dynamics using force fields: Toward solvation Cigrang, L. L. E., Green, J. A., Gómez, S., Cerezo, J., Improta, R., Prampolini, G., Santoro, F., Worth, G. A., J. Chem. Phys., 160(17), 174120 (2024). 
  59. Unraveling the Photoionization Dynamics of Indole in Aqueous and Ethanol Solutions Kumar, G., Kellogg, M., Dey, S., Oliver, T. A. A., Bradforth, S. E., J. Phys. Chem. B., 128(17), pp. 4158-4170 (2024). 
  60. Two-Dimensional Projected-Momentum Covariance Mapping for Coulomb Explosion Imaging McManus, J. W., Allum, F., Featherstone, J., Lam, C., Brouard, M., J. Phys. Chem. A., 128(16), pp. 3220-3229 (2024). 
  61. Unraveling the Ultrafast Photochemical Dynamics of Nitrobenzene in Aqueous Solution Lau, N. A., Ghosh, D., Bourne-Worster, S., Kumar, R., Whitaker, W. A., Heitland, J. Davies, J., Karras, G., Clark, I. P., Greetham, G. M., Worth, G. A., Orr-Ewing, A. J., J. Am. Chem. Soc., 146(15), 0407-10417 (2024). 
  62. Exploring the ultrafast and isomer-dependent photodissociation of iodothiophenes via site-selective ionization Razmus, W. O., Allum, F., Harries, J., Kumagai, Y., Nagaya, K., Bhattacharyya, S., Britton, M., Brouard, Mark., Bucksbaum, P. H., Cheung, K., Crane, S. W., Fushitani, M., Phys. Chem. Chem. Phys., 26(16), pp. 12725-12737 (2024). 
  63. Predicting the photodynamics of cyclobutanone triggered by a laser pulse at 200 nm and its MeV-UED signals—A trajectory surface hopping and XMS-CASPT2 perspective Janoš, J., Figueira Nunes, J. P., Hollas, D., Slavíček, P., Curchod, B. F. E., J. Chem. Phys., 160(14), 144305 (2024). 
  64. The Astrochemistry Low-energy Electron Cross-Section (ALeCS) database I. Semi-empirical electron-impact ionization cross-section calculations and ionization rates Gaches, B.A.L., Grassi, T., Vogt-Geisse, S., Bovolenta, G. M., Vallance, C., Heathcote, D., Padovani, M., Bovino, S., Gorai, P., A&A., 684, A41 (2024). 
  65. Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane Borne, Kurtis D., Cooper, Joseph C., Ashfold, Michael N. R., Bachmann, J., Bhattacharyya, S., Boll, R., Bonanomi, M., Bosch, M., Callegari, C., Centurion, M., Coreno, M., Curchod, B. F. E., Nat. Chem., 16(4), pp. 499-505 (2024). 
  66. 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). 
  67. 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). 
  68. 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). 
  69. Quantum dynamics of excited state proton transfer in green fluorescent protein Bourne-Worster, S., Worth, G.A., J. Phys. Chem., 160(6), 065102 (2024). 
  70. 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).  
  71. Toward ultrafast soft x-ray spectroscopy of organic photovoltaic devices Garratt, D., Matthews, M., Marangos, J., Struct. Dyn., 11(1), 010901 (2024). 
  72. Ultrafast dynamics of fluorene initiated by highly intense laser fields Garg, D., Chopra, P., Lee, J. W. L., Tikhonov, D. S., Kumar, S., Akcaalan, O., Allum, F., Boll, R., Butler, A. A., Erk, B., Gougoula, E., Gruet, S. P., Phys. Chem. Chem. Phys. (2024).
  73. 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). 
  74. 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). 
  75. 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). 
  76. 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). 
  77. 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). 
  78. 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). 
  79. 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).  
  80. 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). 
  81. 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).  
  82. 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). 
  83. 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). 
  84. 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). 
  85. 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). 
  86. Probing the sensitivity of ab initio multiple spawning to its parameters Y. Lassmann, B. F. E. Curchod, Theor. Chem. Acc., 142(8) 66 (2023). 
  87. 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).  
  88. 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). 
  89. 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). 
  90. 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). 
  91. 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). 
  92. 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). 
  93. UV Photoelectron Spectroscopy of Aqueous Solutions W. G. Fortune, M. S. Scholz, H. H. Fielding, Acc. Chem. Res. 55(27), 3631–3640 (2022). 
  94. 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). 
  95. 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). 
  96. 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). 
  97. 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). 
  98. 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). 
  99. 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). 
  100. 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). 
  101. 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). 
  102. 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). 
  103. 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). 
  104. Solvent Effects on Ultrafast Photochemical Pathways Venkatraman, R. K., and Orr-Ewing, A. J., Acc. Chem. Res., 54, 4383-4394 (2021). 
  105. 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). 
  106. 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).