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Items: 1 to 50 of 123

1.

Picosecond to millisecond tracking of a photocatalytic decarboxylation reaction provides direct mechanistic insights.

Bhattacherjee A, Sneha M, Lewis-Borrell L, Tau O, Clark IP, Orr-Ewing AJ.

Nat Commun. 2019 Nov 13;10(1):5152. doi: 10.1038/s41467-019-13154-w.

2.

Photochemistry of Benzophenone in Solution: A Tale of Two Different Solvent Environments.

Venkatraman RK, Orr-Ewing AJ.

J Am Chem Soc. 2019 Sep 25;141(38):15222-15229. doi: 10.1021/jacs.9b07047. Epub 2019 Sep 10.

PMID:
31478656
3.

Observation of Rainbows in the Rotationally Inelastic Scattering of NO with CH4.

Wang XD, Robertson PA, Cascarini FJJ, Quinn MS, McManus JW, Orr-Ewing AJ.

J Phys Chem A. 2019 Sep 12;123(36):7758-7767. doi: 10.1021/acs.jpca.9b06806. Epub 2019 Sep 4.

PMID:
31442046
4.

Photodissociation and reaction dynamics.

Orr-Ewing AJ.

Phys Chem Chem Phys. 2019 Jul 14;21(26):13878-13879. doi: 10.1039/c9cp90164g. Epub 2019 Jun 20. No abstract available.

PMID:
31219485
5.

Electronic Relaxation Dynamics of UV-Photoexcited 2-Aminopurine-Thymine Base Pairs in Watson-Crick and Hoogsteen Conformations.

Böhnke H, Röttger K, Ingle RA, Marroux HJB, Bohnsack M, Schwalb NK, Orr-Ewing AJ, Temps F.

J Phys Chem B. 2019 Apr 4;123(13):2904-2914. doi: 10.1021/acs.jpcb.9b02361. Epub 2019 Mar 27.

PMID:
30875228
6.
7.

Collision Energy Dependence of the Competing Mechanisms of Reaction of Chlorine Atoms with Propene.

Cascarini FJJ, Hornung B, Quinn MS, Robertson PA, Orr-Ewing AJ.

J Phys Chem A. 2019 Apr 4;123(13):2679-2686. doi: 10.1021/acs.jpca.9b01370. Epub 2019 Mar 22.

PMID:
30865455
8.

Experimental and computational studies of Criegee intermediate reactions with NH3 and CH3NH2.

Chhantyal-Pun R, Shannon RJ, Tew DP, Caravan RL, Duchi M, Wong C, Ingham A, Feldman C, McGillen MR, Khan MAH, Antonov IO, Rotavera B, Ramasesha K, Osborn DL, Taatjes CA, Percival CJ, Shallcross DE, Orr-Ewing AJ.

Phys Chem Chem Phys. 2019 Jul 3;21(26):14042-14052. doi: 10.1039/c8cp06810k.

PMID:
30652179
9.

Efficient intersystem crossing in 2-aminopurine riboside probed by femtosecond time-resolved transient vibrational absorption spectroscopy.

Böhnke H, Röttger K, Ingle RA, Marroux HJB, Bohnsack M, Orr-Ewing AJ, Temps F.

Phys Chem Chem Phys. 2018 Aug 1;20(30):20033-20042. doi: 10.1039/c8cp02664e.

PMID:
30022211
10.

Intermolecular Hydrogen Bonding Controlled Intersystem Crossing Rates of Benzophenone.

Venkatraman RK, Kayal S, Barak A, Orr-Ewing AJ, Umapathy S.

J Phys Chem Lett. 2018 Apr 5;9(7):1642-1648. doi: 10.1021/acs.jpclett.8b00345. Epub 2018 Mar 16.

PMID:
29537284
11.

Ultrafast Observation of a Photoredox Reaction Mechanism: Photoinitiation in Organocatalyzed Atom-Transfer Radical Polymerization.

Koyama D, Dale HJA, Orr-Ewing AJ.

J Am Chem Soc. 2018 Jan 31;140(4):1285-1293. doi: 10.1021/jacs.7b07829. Epub 2018 Jan 19.

PMID:
29300460
12.

Evidence for a Double Well in the First Triplet Excited State of 2-Thiouracil.

Koyama D, Milner MJ, Orr-Ewing AJ.

J Phys Chem B. 2017 Oct 5;121(39):9274-9280. doi: 10.1021/acs.jpcb.7b06917. Epub 2017 Sep 26.

PMID:
28895733
13.

Spin Changes Accompany Ultrafast Structural Interconversion in the Ground State of a Cobalt Nitrosyl Complex.

Marroux HJB, Curchod BFE, Faradji CA, Shuttleworth TA, Sparkes HA, Pringle PG, Orr-Ewing AJ.

Angew Chem Int Ed Engl. 2017 Oct 23;56(44):13713-13716. doi: 10.1002/anie.201707508. Epub 2017 Sep 22.

PMID:
28869320
14.

Measurements of the Imaginary Component of the Refractive Index of Weakly Absorbing Single Aerosol Particles.

Willoughby RE, Cotterell MI, Lin H, Orr-Ewing AJ, Reid JP.

J Phys Chem A. 2017 Aug 3;121(30):5700-5710. doi: 10.1021/acs.jpca.7b05418. Epub 2017 Jul 19.

PMID:
28691810
15.

Taking the plunge: chemical reaction dynamics in liquids.

Orr-Ewing AJ.

Chem Soc Rev. 2017 Dec 11;46(24):7597-7614. doi: 10.1039/c7cs00331e. Review.

PMID:
28681050
16.

Temperature-Dependence of the Rates of Reaction of Trifluoroacetic Acid with Criegee Intermediates.

Chhantyal-Pun R, McGillen MR, Beames JM, Khan MAH, Percival CJ, Shallcross DE, Orr-Ewing AJ.

Angew Chem Int Ed Engl. 2017 Jul 24;56(31):9044-9047. doi: 10.1002/anie.201703700. Epub 2017 Jun 29.

17.

Accurate representations of the physicochemical properties of atmospheric aerosols: when are laboratory measurements of value?

Marsh A, Rovelli G, Song YC, Pereira KL, Willoughby RE, Bzdek BR, Hamilton JF, Orr-Ewing AJ, Topping DO, Reid JP.

Faraday Discuss. 2017 Aug 24;200:639-661. doi: 10.1039/c7fd00008a.

PMID:
28574570
18.

Femtosecond to microsecond observation of the photochemical reaction of 1,2-di(quinolin-2-yl)disulfide with methyl methacrylate.

Koyama D, Donaldson PM, Orr-Ewing AJ.

Phys Chem Chem Phys. 2017 May 24;19(20):12981-12991. doi: 10.1039/c7cp01784g.

PMID:
28480917
19.

Unravelling the mechanisms of vibrational relaxation in solution.

Grubb MP, Coulter PM, Marroux HJB, Orr-Ewing AJ, Ashfold MNR.

Chem Sci. 2017 Apr 1;8(4):3062-3069. doi: 10.1039/c6sc05234g. Epub 2017 Feb 10.

20.

Is UV-Induced Electron-Driven Proton Transfer Active in a Chemically Modified A·T DNA Base Pair?

Röttger K, Marroux HJB, Chemin AFM, Elsdon E, Oliver TAA, Street STG, Henderson AS, Galan MC, Orr-Ewing AJ, Roberts GM.

J Phys Chem B. 2017 May 4;121(17):4448-4455. doi: 10.1021/acs.jpcb.7b02679. Epub 2017 Apr 25.

PMID:
28394602
21.

Primary vs. secondary H-atom abstraction in the Cl-atom reaction with n-pentane.

Pandit S, Hornung B, Dunning GT, Preston TJ, Brazener K, Orr-Ewing AJ.

Phys Chem Chem Phys. 2017 Jan 4;19(2):1614-1626. doi: 10.1039/c6cp07164c.

PMID:
27995254
22.

Structural dynamics: general discussion.

Decleva P, Orr-Ewing AJ, Kowalewski M, Kornilov O, Marangos JP, Wörner HJ, Johnson AS, Forbes R, Rolles D, Townsend D, Schalk O, Mai S, Penfold TJ, Miller RJ, Centurion M, Ueda K, Domcke W, Weber PM, Baeck KK, Travnikova O, Liekhus-Schmaltz C, Figueira Nunes JP, Neumark DM, Gessner O, Stolow A, Rudenko A, Mishra PK, Kirrander A, Dowek D, Martín F, Vibók Á, Minitti MP, Stankus B, Burger C.

Faraday Discuss. 2016 Dec 16;194:583-620. doi: 10.1039/c6fd90072k. No abstract available.

PMID:
27906385
23.

Vibrational and condensed phase dynamics: general discussion.

Orr-Ewing AJ, Kornilov O, Sølling TI, Keane T, Minitti MP, Wörner HJ, Schalk O, Roberts GM, Minns RS, Milne CJ, Miseikis L, Penfold TJ, Miller RJ, Domcke W, Centurion M, Ueda K, Weber PM, Gessner O, Neumark DM, Stolow A, Yano J, Mukamel S, Stavros VG.

Faraday Discuss. 2016 Dec 16;194:747-775. doi: 10.1039/c6fd90073a. No abstract available.

PMID:
27901160
24.

Electronic and non-adiabatic dynamics: general discussion.

Orr-Ewing AJ, Verlet JR, Penfold TJ, Minns RS, Minitti MP, Sølling TI, Schalk O, Kowalewski M, Marangos JP, Robb MA, Johnson AS, Wörner HJ, Shalashilin DV, Miller RJ, Domcke W, Ueda K, Weber PM, Cireasa R, Vacher M, Roberts GM, Decleva P, Bencivenga F, Neumark DM, Gessner O, Stolow A, Mishra PK, Polyak I, Baeck KK, Kirrander A, Dowek D, Jiménez-Galán Á, Martín F, Mukamel S, Sekikawa T, Gelin MF, Townsend D, Makhov DV, Neville SP.

Faraday Discuss. 2016 Dec 16;194:209-257. doi: 10.1039/c6fd90070d. No abstract available.

PMID:
27896343
25.

Translational, rotational and vibrational relaxation dynamics of a solute molecule in a non-interacting solvent.

Grubb MP, Coulter PM, Marroux HJ, Hornung B, McMullen RS, Orr-Ewing AJ, Ashfold MN.

Nat Chem. 2016 Nov;8(11):1042-1046. doi: 10.1038/nchem.2570. Epub 2016 Jul 18.

PMID:
27768094
26.

Direct Measurements of Unimolecular and Bimolecular Reaction Kinetics of the Criegee Intermediate (CH3)2COO.

Chhantyal-Pun R, Welz O, Savee JD, Eskola AJ, Lee EP, Blacker L, Hill HR, Ashcroft M, Khan MA, Lloyd-Jones GC, Evans L, Rotavera B, Huang H, Osborn DL, Mok DK, Dyke JM, Shallcross DE, Percival CJ, Orr-Ewing AJ, Taatjes CA.

J Phys Chem A. 2017 Jan 12;121(1):4-15. doi: 10.1021/acs.jpca.6b07810. Epub 2016 Dec 22.

PMID:
27755879
27.

Direct comparison of 3-centre and 4-centre HBr elimination pathways in methyl-substituted vinyl bromides.

Pandit S, Hornung B, Orr-Ewing AJ.

Phys Chem Chem Phys. 2016 Oct 12;18(40):28353-28364.

PMID:
27722312
28.

Triplet state formation and quenching dynamics of 2-mercaptobenzothiazole in solution.

Koyama D, Orr-Ewing AJ.

Phys Chem Chem Phys. 2016 Sep 21;18(37):26224-26235.

PMID:
27722293
29.

Probing the excited state relaxation dynamics of pyrimidine nucleosides in chloroform solution.

Röttger K, Marroux HJ, Böhnke H, Morris DT, Voice AT, Temps F, Roberts GM, Orr-Ewing AJ.

Faraday Discuss. 2016 Dec 16;194:683-708. doi: 10.1039/c6fd00068a.

PMID:
27711889
30.

Evidence for concerted ring opening and C-Br bond breaking in UV-excited bromocyclopropane.

Pandit S, Preston TJ, King SJ, Vallance C, Orr-Ewing AJ.

J Chem Phys. 2016 Jun 28;144(24):244312. doi: 10.1063/1.4954373.

PMID:
27369520
32.

Distinguishing Population and Coherence Transfer Pathways in a Metal Dicarbonyl Complex Using Pulse-Shaped Two-Dimensional Infrared Spectroscopy.

Marroux HJ, Orr-Ewing AJ.

J Phys Chem B. 2016 May 5;120(17):4125-30. doi: 10.1021/acs.jpcb.6b02979. Epub 2016 Apr 22.

PMID:
27070852
33.

The Study of Reactive Intermediates in Condensed Phases.

Carpenter BK, Harvey JN, Orr-Ewing AJ.

J Am Chem Soc. 2016 Apr 13;138(14):4695-705. doi: 10.1021/jacs.6b01761. Epub 2016 Apr 1.

PMID:
27007182
34.

Dynamical Effects and Product Distributions in Simulated CN + Methane Reactions.

Preston TJ, Hornung B, Pandit S, Harvey JN, Orr-Ewing AJ.

J Phys Chem A. 2016 Jul 14;120(27):4672-82. doi: 10.1021/acs.jpca.5b09487. Epub 2016 Feb 5.

PMID:
26812395
35.

Contrasting ring-opening propensities in UV-excited α-pyrone and coumarin.

Murdock D, Ingle RA, Sazanovich IV, Clark IP, Harabuchi Y, Taketsugu T, Maeda S, Orr-Ewing AJ, Ashfold MN.

Phys Chem Chem Phys. 2016 Jan 28;18(4):2629-38. doi: 10.1039/c5cp06597f.

PMID:
26701669
36.

Recombination, Solvation and Reaction of CN Radicals Following Ultraviolet Photolysis of ICN in Organic Solvents.

Coulter P, Grubb MP, Koyama D, Sazanovich IV, Greetham GM, Orr-Ewing AJ.

J Phys Chem A. 2015 Dec 31;119(52):12911-23. doi: 10.1021/acs.jpca.5b10716. Epub 2015 Dec 17.

PMID:
26634787
37.

Reaction Dynamics of CN Radicals in Acetonitrile Solutions.

Koyama D, Coulter P, Grubb MP, Greetham GM, Clark IP, Orr-Ewing AJ.

J Phys Chem A. 2015 Dec 31;119(52):12924-34. doi: 10.1021/acs.jpca.5b10720. Epub 2015 Dec 17.

PMID:
26634627
38.

Ultraviolet Absorption Induces Hydrogen-Atom Transfer in G⋅C Watson-Crick DNA Base Pairs in Solution.

Röttger K, Marroux HJ, Grubb MP, Coulter PM, Böhnke H, Henderson AS, Galan MC, Temps F, Orr-Ewing AJ, Roberts GM.

Angew Chem Int Ed Engl. 2015 Dec 1;54(49):14719-22. doi: 10.1002/anie.201506940. Epub 2015 Oct 13.

PMID:
26459502
39.

Empirical Valence Bond Theory Studies of the CH4 + Cl → CH3 + HCl Reaction.

Hornung B, Harvey JN, Preston TJ, Dunning GT, Orr-Ewing AJ.

J Phys Chem A. 2015 Sep 17;119(37):9590-8. doi: 10.1021/acs.jpca.5b06418. Epub 2015 Sep 2.

PMID:
26332892
40.

Computational Study of Competition between Direct Abstraction and Addition-Elimination in the Reaction of Cl Atoms with Propene.

Hornung B, Preston TJ, Pandit S, Harvey JN, Orr-Ewing AJ.

J Phys Chem A. 2015 Sep 10;119(36):9452-64. doi: 10.1021/acs.jpca.5b07052. Epub 2015 Aug 27.

PMID:
26288318
41.

Probing the Ultrafast Energy Dissipation Mechanism of the Sunscreen Oxybenzone after UVA Irradiation.

Baker LA, Horbury MD, Greenough SE, Coulter PM, Karsili TN, Roberts GM, Orr-Ewing AJ, Ashfold MN, Stavros VG.

J Phys Chem Lett. 2015 Apr 16;6(8):1363-8. doi: 10.1021/acs.jpclett.5b00417. Epub 2015 Mar 30.

PMID:
26263136
42.

Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model.

Glowacki DR, Orr-Ewing AJ, Harvey JN.

J Chem Phys. 2015 Jul 28;143(4):044120. doi: 10.1063/1.4926996.

PMID:
26233120
43.

Vibrational Excitation of Both Products of the Reaction of CN Radicals with Acetone in Solution.

Dunning GT, Preston TJ, Greaves SJ, Greetham GM, Clark IP, Orr-Ewing AJ.

J Phys Chem A. 2015 Dec 17;119(50):12090-101. doi: 10.1021/acs.jpca.5b05624. Epub 2015 Jul 29.

44.

Optical extinction efficiency measurements on fine and accumulation mode aerosol using single particle cavity ring-down spectroscopy.

Cotterell MI, Mason BJ, Preston TC, Orr-Ewing AJ, Reid JP.

Phys Chem Chem Phys. 2015 Jun 28;17(24):15843-56. doi: 10.1039/c5cp00252d. Epub 2015 May 28.

PMID:
26018300
45.

Direct measurements of the optical cross sections and refractive indices of individual volatile and hygroscopic aerosol particles.

Mason BJ, Cotterell MI, Preston TC, Orr-Ewing AJ, Reid JP.

J Phys Chem A. 2015 Jun 4;119(22):5701-13. doi: 10.1021/acs.jpca.5b00435. Epub 2015 May 22.

PMID:
25989469
46.

Dynamics of bimolecular reactions in solution.

Orr-Ewing AJ.

Annu Rev Phys Chem. 2015 Apr;66:119-41. doi: 10.1146/annurev-physchem-040214-121654. Review.

PMID:
25830373
47.

Solvent response to fluorine-atom reaction dynamics in liquid acetonitrile.

Dunning GT, Murdock D, Greetham GM, Clark IP, Orr-Ewing AJ.

Phys Chem Chem Phys. 2015 Apr 14;17(14):9465-70. doi: 10.1039/c5cp00774g. Epub 2015 Mar 13.

PMID:
25764990
48.

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

Dunning GT, Glowacki DR, Preston TJ, Greaves SJ, Greetham GM, Clark IP, Towrie M, Harvey JN, Orr-Ewing AJ.

Science. 2015 Jan 30;347(6221):530-3. doi: 10.1126/science.aaa0103.

49.

Rotationally inelastic scattering of methyl radicals with Ar and N2.

Tkáč O, Ma Q, Stei M, Orr-Ewing AJ, Dagdigian PJ.

J Chem Phys. 2015 Jan 7;142(1):014306. doi: 10.1063/1.4904901.

PMID:
25573560
50.

A kinetic study of the CH2OO Criegee intermediate self-reaction, reaction with SO2 and unimolecular reaction using cavity ring-down spectroscopy.

Chhantyal-Pun R, Davey A, Shallcross DE, Percival CJ, Orr-Ewing AJ.

Phys Chem Chem Phys. 2015 Feb 7;17(5):3617-26. doi: 10.1039/c4cp04198d. Epub 2015 Jan 2.

PMID:
25553776

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