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Simon P Neville
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Sub-7-femtosecond conical-intersection dynamics probed at the carbon K-edge
KS Zinchenko, F Ardana-Lamas, I Seidu, SP Neville, J van der Veen, ...
Science 371 (6528), 489-494, 2021
1042021
Ultrafast x-ray spectroscopy of conical intersections
SP Neville, M Chergui, A Stolow, MS Schuurman
Physical review letters 120 (24), 243001, 2018
982018
Probing the structures of gas-phase rhodium cluster cations by far-infrared spectroscopy
DJ Harding, P Gruene, M Haertelt, G Meijer, A Fielicke, SM Hamilton, ...
The Journal of chemical physics 133 (21), 2010
852010
Capturing roaming molecular fragments in real time
T Endo, SP Neville, V Wanie, S Beaulieu, C Qu, J Deschamps, ...
Science 370 (6520), 1072-1077, 2020
782020
Excited state non-adiabatic dynamics of pyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study
G Wu, SP Neville, O Schalk, T Sekikawa, MNR Ashfold, GA Worth, ...
The Journal of chemical physics 142 (7), 2015
772015
Beyond structure: ultrafast X-ray absorption spectroscopy as a probe of non-adiabatic wavepacket dynamics
SP Neville, V Averbukh, S Patchkovskii, M Ruberti, R Yun, M Chergui, ...
Faraday discussions 194, 117-145, 2016
612016
A reinterpretation of the electronic spectrum of pyrrole: A quantum dynamics study
SP Neville, GA Worth
The Journal of Chemical Physics 140 (3), 2014
592014
Excited state x-ray absorption spectroscopy: Probing both electronic and structural dynamics
SP Neville, V Averbukh, M Ruberti, R Yun, S Patchkovskii, M Chergui, ...
The Journal of Chemical Physics 145 (14), 2016
432016
Substituent effects on dynamics at conical intersections: Allene and methyl allenes
SP Neville, Y Wang, AE Boguslavskiy, A Stolow, MS Schuurman
The Journal of chemical physics 144 (1), 2016
312016
Quantum dynamics study of photoexcited aniline
F Wang, SP Neville, R Wang, GA Worth
The Journal of Physical Chemistry A 117 (32), 7298-7307, 2013
282013
Non-radiative relaxation dynamics of pyrrole following excitation in the range 249.5–200 nm
OM Kirkby, MA Parkes, SP Neville, GA Worth, HH Fielding
Chemical Physics Letters 683, 179-185, 2017
252017
Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study
G Wu, SP Neville, O Schalk, T Sekikawa, MNR Ashfold, GA Worth, ...
The Journal of Chemical Physics 144 (1), 2016
252016
The simulation of X-ray absorption spectra from ground and excited electronic states using core-valence separated DFT/MRCI
I Seidu, SP Neville, M Kleinschmidt, A Heil, CM Marian, MS Schuurman
The Journal of Chemical Physics 151 (14), 2019
242019
Dynamics in higher lying excited states: valence to Rydberg transitions in the relaxation paths of pyrrole and methylated derivatives
T Geng, O Schalk, SP Neville, T Hansson, RD Thomas
The Journal of Chemical Physics 146 (14), 2017
222017
Ultrafast molecular frame electronic coherences from lab frame scattering anisotropies
V Makhija, K Veyrinas, AE Boguslavskiy, R Forbes, I Wilkinson, R Lausten, ...
Journal of Physics B: Atomic, Molecular and Optical Physics 53 (11), 114001, 2020
212020
A general approach for the calculation and characterization of x-ray absorption spectra
SP Neville, MS Schuurman
The Journal of chemical physics 149 (15), 2018
192018
Identification of a new electron-transfer relaxation pathway in photoexcited pyrrole dimers
SP Neville, OM Kirkby, N Kaltsoyannis, GA Worth, HH Fielding
Nature Communications 7 (1), 11357, 2016
182016
Vacuum ultraviolet excited state dynamics of the smallest ring, cyclopropane. II. Time-resolved photoelectron spectroscopy and ab initio dynamics
MR Coates, MAB Larsen, R Forbes, SP Neville, AE Boguslavskiy, ...
The Journal of chemical physics 149 (14), 2018
172018
Vacuum ultraviolet excited state dynamics of the smallest ketone: acetone
R Forbes, SP Neville, MAB Larsen, A Roder, AE Boguslavskiy, R Lausten, ...
The Journal of Physical Chemistry Letters 12 (35), 8541-8547, 2021
142021
Propagative block diagonalization diabatization of DFT/MRCI electronic states
SP Neville, I Seidu, MS Schuurman
The Journal of Chemical Physics 152 (11), 2020
122020
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Articles 1–20