Research Output

  • 56 Article (Academic Journal)
  • 1 Conference Abstract
  • 1 Review article (Academic Journal)
Filter
Article (Academic Journal)
2017

Photofragmentation dynamics of N,N-dimethylformamide following excitation at 193 nm

Lipciuc, M. L., Gardiner, S. H., Karsili, T. N. V., Lee, J. W. L., Heathcote, D., Ashfold, M. N. R. & Vallance, C., 7 Jul 2017, In : Journal of Chemical Physics. 147, 1, 11 p., 013941.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
4 Citations (Scopus)
391 Downloads (Pure)
2015

A Multipronged Comparative Study of the Ultraviolet Photochemistry of 2-, 3-, and 4-Chlorophenol in the Gas Phase

Harris, S. J., Karsili, T. N. V., Murdock, D., Oliver, T. A. A., Wenge, A. M., Zaouris, D. K., Ashfold, M. N. R., Harvey, J. N., Few, J. D., Gowrie, S., Hancock, G., Hadden, D. J., Roberts, G. M., Stavros, V. G., Spighi, G., Poisson, L. & Soep, B., 11 Jun 2015, In : Journal of Physical Chemistry A. 119, 23, p. 6045-56 12 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
10 Citations (Scopus)
359 Downloads (Pure)

Dynamics of bimolecular reactions in solution

Orr-Ewing, A. J., Apr 2015, In : Annual Review of Physical Chemistry. 66, p. 119-41 23 p.

Research output: Contribution to journalArticle (Academic Journal)

File
22 Citations (Scopus)
312 Downloads (Pure)

Dynamics of the A-band ultraviolet photodissociation of methyl iodide and ethyl iodide via velocity-map imaging with 'universal' detection

Gardiner, S. H., Lipciuc, M. L., Karsili, T. N. V., Ashfold, M. N. R. & Vallance, C., 14 Feb 2015, In : Physical Chemistry Chemical Physics. 17, 6, p. 4096-106 11 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
18 Citations (Scopus)
400 Downloads (Pure)

Exploring autoionization and photo-induced proton-coupled electron transfer pathways of phenol in aqueous solution

Oliver, T. A. A., Zhang, Y., Roy, A., Ashfold, M. N. R. & Bradforth, S. E., 15 Oct 2015, In : Journal of Physical Chemistry Letters. 6, 20, p. 4159-4164 6 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
26 Citations (Scopus)
373 Downloads (Pure)

Near ultraviolet photochemistry of 2-bromo- and 2-iodothiophene: Revealing photoinduced ring opening in the gas phase?

Marchetti, B., Karsili, T. N. V., Kelly, O., Kapetanopoulos, P. & Ashfold, M. N. R., 14 Jun 2015, In : Journal of Chemical Physics. 142, 22, 11 p., 224303.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
9 Citations (Scopus)
515 Downloads (Pure)
Open Access
File
30 Citations (Scopus)
296 Downloads (Pure)

Rotationally inelastic scattering of methyl radicals with Ar and N2

Tkac, O., Ma, Q., Stei, M., Orr-Ewing, A. J. & Dagdigian, P. J., 7 Jan 2015, In : Journal of Chemical Physics. 142, 1, 10 p., 014306.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
8 Citations (Scopus)
414 Downloads (Pure)

Rotationally inelastic scattering of ND3 with H2 as a probe of the intermolecular potential energy surface

Tkáč, O., Saha, A. K., Loreau, J., Ma, Q., Dagdigian, P. J., Parker, D., Van Der Avoird, A. & Orr-Ewing, A. J., 17 Dec 2015, In : Molecular Physics. 113, 24, p. 3925-3933 9 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
11 Citations (Scopus)
182 Downloads (Pure)

Tuning photochemistry: substituent effects on πσ* state mediated bond fission in thioanisoles

Wenge, A. M., Karsili, T. N. V., Rodríguez, J. D., Cotterell, M. I., Marchetti, B., Dixon, R. N. & Ashfold, M. N. R., 7 Jul 2015, In : Physical Chemistry Chemical Physics. 17, 25, p. 16246-56 11 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
10 Citations (Scopus)
368 Downloads (Pure)

UV-Induced Isomerization Dynamics of N-Methyl-2-pyridone in Solution

Murdock, D., Harris, S. J., Clark, I. P., Greetham, G. M., Towrie, M., Orr-Ewing, A. J. & Ashfold, M. N. R., 8 Jan 2015, In : Journal of Physical Chemistry A. 119, 1, p. 88-94 7 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
7 Citations (Scopus)
254 Downloads (Pure)

Vibrational relaxation and microsolvation of DF after F-atom reactions in polar solvents

Dunning, G. T., Glowacki, D. R., Preston, T. J., Greaves, S. J., Greetham, G. M., Clark, I. P., Towrie, M., Harvey, J. N. & Orr-Ewing, A. J., 30 Jan 2015, In : Science. 347, 6221, p. 530-533 4 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
34 Citations (Scopus)
322 Downloads (Pure)
2014

Collision dynamics of symmetric top molecules: A comparison of the rotationally inelastic scattering of CD3 and ND3 with He

Tkac, O., Orr-Ewing, A. J., Dagdigian, P. J., Alexander, M. H., Onvlee, J. & van der Avoird, A., 7 Apr 2014, In : Journal of Chemical Physics. 140, 13, 10 p., 134308.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
9 Citations (Scopus)
268 Downloads (Pure)

Differential and integral cross sections for the rotationally inelastic scattering of methyl radicals with H-2 and D-2

Tkac, O., Ma, Q., Rusher, C. A., Greaves, S. J., Orr-Ewing, A. J. & Dagdigian, P. J., 30 May 2014, In : Journal of Chemical Physics. 140, 20, 12 p., 204318.

Research output: Contribution to journalArticle (Academic Journal)

File
11 Citations (Scopus)
282 Downloads (Pure)

Direct and Indirect Hydrogen Abstraction in Cl plus Alkene Reactions

Preston, T. J., Dunning, G. T., Orr-Ewing, A. J. & Vazquez, S. A., 31 Jul 2014, In : Journal of Physical Chemistry A. 118, 30, p. 5595-5607 13 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
21 Citations (Scopus)
189 Downloads (Pure)

Dynamics of photodissociation of XeF2 in organic solvents

Dunning, G. T., Preston, T. J., Orr-Ewing, A. J., Greaves, S. J., Greetham, G. M., Clark, I. P. & Towrie, M., 2014, In : Physical Chemistry Chemical Physics. 16, 30, p. 16095-16102 8 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
7 Citations (Scopus)
271 Downloads (Pure)

Fragmentation dynamics of the ethyl bromide and ethyl iodide cations: a velocity-map imaging study

Gardiner, S. H., Karsili, T. N. V., Lipciuc, M. L., Wilman, E., Ashfold, M. N. R. & Vallance, C., 2014, In : Physical Chemistry Chemical Physics. 16, 5, p. 2167-2178 12 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
11 Citations (Scopus)
283 Downloads (Pure)

KOALA: A program for the processing and decomposition of transient spectra

Grubb, M. P., Orr-Ewing, A. J. & Ashfold, M. N. R., Jun 2014, In : Review of Scientific Instruments. 85, 6, 7 p., 064104.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
29 Citations (Scopus)
366 Downloads (Pure)

On the Participation of Photoinduced N-H Bond Fission in Aqueous Adenine at 266 and 220 nm: A Combined Ultrafast Transient Electronic and Vibrational Absorption Spectroscopy Study

Roberts, G. M., Marroux, H. J. B., Grubb, M. P., Ashfold, M. N. R. & Orr-Ewing, A. J., 27 Nov 2014, In : Journal of Physical Chemistry A. 118, 47, p. 11211-11225 15 p.

Research output: Contribution to journalArticle (Academic Journal)

File
45 Citations (Scopus)
356 Downloads (Pure)

Perspective: Bimolecular chemical reaction dynamics in liquids

Orr-Ewing, A. J., 7 Mar 2014, In : Journal of Chemical Physics. 140, 9, 12 p., 090901.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
38 Citations (Scopus)
383 Downloads (Pure)

Rotationally Inelastic Scattering of Quantum-State-Selected ND3 with Ar

Tkac, O., Saha, A. K., Loreau, J., Parker, D. H., van der Avoird, A. & Orr-Ewing, A. J., 22 Dec 2014, In : Journal of Physical Chemistry A. 119, 23, p. 5979 - 5987 9 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
7 Citations (Scopus)
199 Downloads (Pure)

Symmetry matters: photodissociation dynamics of symmetrically versus asymmetrically substituted phenols

Karsili, T. N. V., Wenge, A. M., Marchetti, B. & Ashfold, M. N. R., 28 Oct 2014, In : Physical Chemistry Chemical Physics. 16, 2, p. 588-598 11 p.

Research output: Contribution to journalArticle (Academic Journal)

File
30 Citations (Scopus)
334 Downloads (Pure)

Transient electronic and vibrational absorption studies of the photo-Claisen and photo-Fries rearrangements

Harris, S. J., Murdock, D., Grubb, M. P., Greetham, G. M., Clark, I. P., Towrie, M. & Ashfold, M. N. R., 1 Feb 2014, In : Chemical Science. 5, 2, p. 707-714 8 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
8 Citations (Scopus)
331 Downloads (Pure)
File
32 Citations (Scopus)
137 Downloads (Pure)
2013

Comparing molecular photofragmentation dynamics in the gas and liquid phases

Harris, S. J., Murdock, D., Zhang, Y., Oliver, T. A. A., Grubb, M. P., Orr-Ewing, A. J., Greetham, G. M., Clark, I. P., Towrie, M., Bradforth, S. E. & Ashfold, M. N. R., 14 May 2013, In : Physical Chemistry Chemical Physics. 15, 18, p. 6567-6582 17 p.

Research output: Contribution to journalArticle (Academic Journal)

File
51 Citations (Scopus)
285 Downloads (Pure)

Photoisomerization and Photoinduced Reactions in Liquid CCI4 and CHCI3

Abou-Chahine, F., Preston, T. J., Dunning, G. T., Orr-Ewing, A. J., Greetham, G. M., Clark, I. P., Towrie, M. & Reid, S. A., 21 Aug 2013, In : Journal of Physical Chemistry A. 117, 50, p. 13388-13398 11 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
16 Citations (Scopus)
235 Downloads (Pure)

Rotationally inelastic scattering of CD3 and CH3 with He: comparison of velocity map-imaging data with quantum scattering calculations

Tkac, O., Sage, A. G., Greaves, S. J., Orr-Ewing, A. J., Dagdigian, P. J., Ma, Q. & Alexander, M. H., 1 Nov 2013, In : Chemical Science. 4, 11, p. 4199-4211 13 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
13 Citations (Scopus)
192 Downloads (Pure)

State-to-state resolved differential cross sections for rotationally inelastic scattering of ND3 with He

Tkac, O., Saha, A. K., Onvlee, J., Yang, C-H., Sarma, G., Bishwakarma, C. K., van de Meerakker, S. Y. T., van der Avoird, A., Parker, D. H. & Orr-Ewing, A. J., 25 Sep 2013, In : Physical Chemistry Chemical Physics. 16, 2, p. 477-488 12 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
24 Citations (Scopus)
249 Downloads (Pure)

Unraveling the role of protein dynamics in dihydrofolate reductase catalysis

Luk, L., Dawson, W. M., Roca, M., Moliner, V., Allemann, R., Mulholland, A. J., Harvey, J. N., Glowacki, D. R., Loveridge, J., Javier Ruiz Pernia, J. & Tuñón, I., 8 Oct 2013, In : Proceedings of the National Academy of Sciences of the United States of America. 110, 41, p. 16344–16349

Research output: Contribution to journalArticle (Academic Journal)

91 Citations (Scopus)
31 Downloads (Pure)

Vibrationally resolved dynamics of the reaction of Cl atoms with 2,3-dimethylbut-2-ene in chlorinated solvents

Abou-Chahine, F., Greaves, S. J., Dunning, G. T., Orr-Ewing, A. J., Greetham, G. M., Clark, I. P. & Towrie, M., 1 Jan 2013, In : Chemical Science. 4, 1, p. 226-237 12 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
17 Citations (Scopus)
312 Downloads (Pure)

Waveguide-enhanced 2D-IR spectroscopy in the gas phase

Greetham, G. M., Clark, I. P., Weidmann, D., Ashfold, M. N. R., Orr-Ewing, A. J. & Towrie, M., 15 Sep 2013, In : Optics Letters. 38, 18, p. 3596-3599 4 p.

Research output: Contribution to journalArticle (Academic Journal)

Open Access
File
3 Citations (Scopus)
285 Downloads (Pure)
2012

Photofragmentation Dynamics in Solution Probed by Transient IR Absorption Spectroscopy: πσ*-Mediated Bond Cleavage in p-Methylthiophenol and p-Methylthioanisole

Murdock, D., Harris, S. J., Karsili, T. N. V., Greetham, G. M., Clark, I. P., Towrie, M., Orr-Ewing, A. J. & Ashfold, M. N. R., 20 Dec 2012, In : Journal of Physical Chemistry Letters. 3, 24, p. 3715-3720 6 p.

Research output: Contribution to journalArticle (Academic Journal)

20 Citations (Scopus)

Reaction dynamics of CN radicals with tetrahydrofuran in liquid solutions

Rose, R. A., Greaves, S. J., Abou-Chahine, F., Glowacki, D. R., Oliver, T. A. A., Ashfold, M. N. R., Clark, I. P., Greetham, G. M., Towrie, M. & Orr-Ewing, A. J., Mar 2012, In : Physical Chemistry Chemical Physics. 14, 30, p. 10424-10437 14 p.

Research output: Contribution to journalArticle (Academic Journal)

File
19 Citations (Scopus)
215 Downloads (Pure)

Taking Ockham's razor to enzyme dynamics and catalysis

Glowacki, D. R., Harvey, J. N. & Mulholland, A. J., Jan 2012, In : Nature Chemistry. 4, p. 169-176 8 p.

Research output: Contribution to journalArticle (Academic Journal)

186 Citations (Scopus)

UV photodissociation dynamics of iodobenzene: Effects of fluorination

Murdock, D., Crow, M. B., Ritchie, G. A. D. & Ashfold, M. N. R., 28 Mar 2012, In : Journal of Chemical Physics. 136, 12, p. - 14 p., 124313.

Research output: Contribution to journalArticle (Academic Journal)

15 Citations (Scopus)

Vibrational energy redistribution in catechol during ultraviolet photolysis

King, G. A., Oliver, T. A. A., Dixon, R. N. & Ashfold, M. N. R., 14 Mar 2012, In : Physical Chemistry Chemical Physics. 14, 10, p. 3338-3345 8 p.

Research output: Contribution to journalArticle (Academic Journal)

29 Citations (Scopus)
2011

Chemical Reaction Dynamics in Liquid Solutions

Orr-Ewing, A. J., Glowacki, D. R., Greaves, S. J. & Rose, R. A., 19 May 2011, In : Journal of Physical Chemistry Letters. 2, 10, p. 1139-1144 6 p.

Research output: Contribution to journalArticle (Academic Journal)

File
28 Citations (Scopus)
266 Downloads (Pure)

Conformer specific dissociation dynamics of iodocyclohexane studied by velocity map imaging

Zaouris, D. K., Wenge, A. M., Murdock, D., Oliver, T. A. A., Richmond, G., Ritchie, G. A. D., Dixon, R. N. & Ashfold, M. N. R., 7 Sep 2011, In : Journal of Chemical Physics. 135, 9, p. - 8 p., 094312.

Research output: Contribution to journalArticle (Academic Journal)

8 Citations (Scopus)

Linking photochemistry in the gas and solution phase: S-H bond fission in p-methylthiophenol following UV photoexcitation

Oliver, T. A. A., Zhang, Y., Ashfold, M. N. R. & Bradforth, S. E., 25 May 2011, In : Faraday Discussions. 150, p. 439-58; discussion 505-32

Research output: Contribution to journalArticle (Academic Journal)

34 Citations (Scopus)

Position matters: competing O-H and N-H photodissociation pathways in hydroxy- and methoxy-substituted indoles

Oliver, T. A. A., King, G. A. & Ashfold, M. N. R., 28 Aug 2011, In : Physical Chemistry Chemical Physics. 13, 32, p. 14646-14662 17 p.

Research output: Contribution to journalArticle (Academic Journal)

33 Citations (Scopus)

Product energy deposition of CN plus alkane H abstraction reactions in gas and solution phases

Glowacki, D. R., Orr-Ewing, A. J. & Harvey, J. N., 7 Jun 2011, In : Journal of Chemical Physics. 134, 21, p. - 11 p., 214508.

Research output: Contribution to journalArticle (Academic Journal)

File
44 Citations (Scopus)
255 Downloads (Pure)

Quasi-classical trajectory study of the dynamics of the Cl + CH4→ HCl + CH3 reaction

Greaves, SJ., Rose, RA., Abou-Chahine, F., Glowacki, DR., Troya, D. & Orr-Ewing, AJ., 2011, In : Physical Chemistry Chemical Physics. 13, p. 11438 - 11445

Research output: Contribution to journalArticle (Academic Journal)

File
16 Citations (Scopus)
252 Downloads (Pure)

Tunnelling under a conical intersection: application to the product vibrational state distributions in the UV photodissociation of phenols

Dixon, R. N., Oliver, T. A. A. & Ashfold, M. N. R., May 2011, In : Journal of Chemical Physics. 134, 19, p. 1943031-11 11 p.

Research output: Contribution to journalArticle (Academic Journal)

106 Citations (Scopus)

Ultrafast energy flow in the wake of solution phase bimolecular reactions

Glowacki, DR., Rose, RA., Greaves, SJ., Orr-Ewing, AJ. & Harvey, JN., 2011, In : Nature Chemistry. 3, 11, p. 850 - 855

Research output: Contribution to journalArticle (Academic Journal)

File
54 Citations (Scopus)
196 Downloads (Pure)

Vibrationally quantum-state-specific dynamics of the reactions of CN radicals with organic molecules in solution

Rose, R. A., Greaves, S. J., Oliver, T. A. A., Clark, I. P., Greetham, G. M., Parker, A. W., Towrie, M. & Orr-Ewing, A. J., 28 Jun 2011, In : Journal of Chemical Physics. 134, 24, 15 p., 244503.

Research output: Contribution to journalArticle (Academic Journal)

File
21 Citations (Scopus)
285 Downloads (Pure)

Vibrationally quantum-state-specific reaction dynamics of H atom abstraction by CN radical in solution

Greaves, S. J., Rose, R. A., Oliver, T. A. A., Glowacki, D. R., Ashfold, M. N. R., Harvey, J. N., Clarke, I. P., Greetham, G. M., Parker, A. W., Towrie, M. & Orr-Ewing, A. J., 18 Mar 2011, In : Science. 331, 6023, p. 1423 - 1426 4 p.

Research output: Contribution to journalArticle (Academic Journal)

File
66 Citations (Scopus)
375 Downloads (Pure)
2010

Alkene Hydroboration: Hot Intermediates That React While They Are Cooling

Glowacki, D. R., Liang, C. H., Marsden, S. P., Harvey, J. N. & Pilling, M. J., 6 Oct 2010, In : Journal of the American Chemical Society. 132, 39, p. 13621-13623 3 p.

Research output: Contribution to journalArticle (Academic Journal)

51 Citations (Scopus)

Dynamical insights into 1πσ* state mediated photodissociation of aniline

King, G. A., Oliver, T. A. A. & Ashfold, M. N. R., 7 Jun 2010, In : Journal of Chemical Physics. 132, 21, p. - 12 p., 214307.

Research output: Contribution to journalArticle (Academic Journal)

58 Citations (Scopus)

Exploring the mechanisms of H atom loss in simple azoles: Ultraviolet photolysis of pyrazole and triazole

King, G. A., Oliver, T. A. A., Nix, M. G. D. & Ashfold, M. N. R., 14 Feb 2010, In : Journal of Chemical Physics. 132, 6, p. - 13 p., 064305.

Research output: Contribution to journalArticle (Academic Journal)

25 Citations (Scopus)

The conformer resolved ultraviolet photodissociation of morpholine

Oliver, T. A. A., King, G. & Ashfold, M., 12 May 2010, In : Chemical Science. 1, p. 89-96

Research output: Contribution to journalArticle (Academic Journal)

20 Citations (Scopus)