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Items: 44

1.

Theory of ultrafast x-ray scattering by molecules in the gas phase.

Simmermacher M, Moreno Carrascosa A, E Henriksen N, B Møller K, Kirrander A.

J Chem Phys. 2019 Nov 7;151(17):174302. doi: 10.1063/1.5110040.

PMID:
31703488
2.

A deep UV trigger for ground-state ring-opening dynamics of 1,3-cyclohexadiene.

Ruddock JM, Yong H, Stankus B, Du W, Goff N, Chang Y, Odate A, Carrascosa AM, Bellshaw D, Zotev N, Liang M, Carbajo S, Koglin J, Robinson JS, Boutet S, Kirrander A, Minitti MP, Weber PM.

Sci Adv. 2019 Sep 6;5(9):eaax6625. doi: 10.1126/sciadv.aax6625. eCollection 2019 Sep.

3.

Scattering off molecules far from equilibrium.

Yong H, Ruddock JM, Stankus B, Ma L, Du W, Goff N, Chang Y, Zotev N, Bellshaw D, Boutet S, Carbajo S, Koglin JE, Liang M, Robinson JS, Kirrander A, Minitti MP, Weber PM.

J Chem Phys. 2019 Aug 28;151(8):084301. doi: 10.1063/1.5111979.

PMID:
31470697
4.

Ultrafast X-ray scattering reveals vibrational coherence following Rydberg excitation.

Stankus B, Yong H, Zotev N, Ruddock JM, Bellshaw D, Lane TJ, Liang M, Boutet S, Carbajo S, Robinson JS, Du W, Goff N, Chang Y, Koglin JE, Minitti MP, Kirrander A, Weber PM.

Nat Chem. 2019 Aug;11(8):716-721. doi: 10.1038/s41557-019-0291-0. Epub 2019 Jul 8.

PMID:
31285542
5.

Photodissociation dynamics of CH3I probed via multiphoton ionisation photoelectron spectroscopy.

Warne EM, Downes-Ward B, Woodhouse J, Parkes MA, Bellshaw D, Springate E, Majchrzak P, Zhang Y, Karras G, Wyatt AS, Chapman RT, Kirrander A, Minns RS.

Phys Chem Chem Phys. 2019 Jun 7;21(21):11142-11149. doi: 10.1039/c9cp01477b. Epub 2019 May 16.

PMID:
31094379
6.

The photochemical ring-opening of 1,3-cyclohexadiene imaged by ultrafast electron diffraction.

Wolf TJA, Sanchez DM, Yang J, Parrish RM, Nunes JPF, Centurion M, Coffee R, Cryan JP, Gühr M, Hegazy K, Kirrander A, Li RK, Ruddock J, Shen X, Vecchione T, Weathersby SP, Weber PM, Wilkin K, Yong H, Zheng Q, Wang XJ, Minitti MP, Martínez TJ.

Nat Chem. 2019 Jun;11(6):504-509. doi: 10.1038/s41557-019-0252-7. Epub 2019 Apr 15.

PMID:
30988415
7.

Ab Initio Fragment Method for Calculating Molecular X-ray Diffraction.

Northey T, Kirrander A.

J Phys Chem A. 2019 Apr 18;123(15):3395-3406. doi: 10.1021/acs.jpca.9b00621. Epub 2019 Apr 9.

PMID:
30892904
8.

Ab Initio Calculation of Total X-ray Scattering from Molecules.

Moreno Carrascosa A, Yong H, Crittenden DL, Weber PM, Kirrander A.

J Chem Theory Comput. 2019 May 14;15(5):2836-2846. doi: 10.1021/acs.jctc.9b00056. Epub 2019 Apr 15.

PMID:
30875212
9.

Simplicity Beneath Complexity: Counting Molecular Electrons Reveals Transients and Kinetics of Photodissociation Reactions.

Ruddock JM, Zotev N, Stankus B, Yong H, Bellshaw D, Boutet S, Lane TJ, Liang M, Carbajo S, Du W, Kirrander A, Minitti M, Weber PM.

Angew Chem Int Ed Engl. 2019 May 6;58(19):6371-6375. doi: 10.1002/anie.201902228. Epub 2019 Apr 1.

PMID:
30866169
10.

Electronic Coherence in Ultrafast X-Ray Scattering from Molecular Wave Packets.

Simmermacher M, Henriksen NE, Møller KB, Moreno Carrascosa A, Kirrander A.

Phys Rev Lett. 2019 Feb 22;122(7):073003. doi: 10.1103/PhysRevLett.122.073003.

PMID:
30848654
11.

Correspondence between electronic structure calculations and simulations: nonadiabatic dynamics in CS2.

Bellshaw D, Minns RS, Kirrander A.

Phys Chem Chem Phys. 2019 Jul 3;21(26):14226-14237. doi: 10.1039/c8cp05693e.

PMID:
30540304
12.

Quantum dynamics of isolated molecules: general discussion.

Babikov D, Benoit D, Bowman J, Burd T, Clary D, Donovan R, Fischer I, Gianturco F, Hochlaf M, Kar S, Kirrander A, Leone S, Malcomson T, Manthe U, McCoy AB, Petersen J, Richardson J, Slavíček P, Stoecklin T, Szalewicz K, van der Avoird A, Wester R, Worth G, Zehnacker-Rentien A.

Faraday Discuss. 2018 Dec 13;212(0):281-306. doi: 10.1039/c8fd90052c. No abstract available.

PMID:
30511069
13.

Molecules in confinement in liquid solvents: general discussion.

Ban L, Bowman J, Bradforth S, Chambaud G, Dracinsky M, Fischer I, Góra R, Hochlaf M, Janicki M, Kirrander A, McCoy AB, Petersen J, Richardson J, Slavicek P, Szalewicz K, Zehnacker-Rentien A.

Faraday Discuss. 2018 Dec 13;212(0):383-397. doi: 10.1039/c8fd90051e. No abstract available.

PMID:
30511066
14.

Determining Orientations of Optical Transition Dipole Moments Using Ultrafast X-ray Scattering.

Yong H, Zotev N, Stankus B, Ruddock JM, Bellshaw D, Boutet S, Lane TJ, Liang M, Carbajo S, Robinson JS, Du W, Goff N, Chang Y, Koglin JE, Waters MDJ, Sølling TI, Minitti MP, Kirrander A, Weber PM.

J Phys Chem Lett. 2018 Nov 15;9(22):6556-6562. doi: 10.1021/acs.jpclett.8b02773. Epub 2018 Nov 5.

PMID:
30380873
15.

Heavy Rydberg states: large amplitude vibrations.

Kirrander A, Jungen C, Donovan RJ, Lawley KP.

Faraday Discuss. 2018 Dec 13;212(0):175-190. doi: 10.1039/c8fd00096d.

PMID:
30318538
16.

Ultrafast photodissociation dynamics of 1,4-diiodobenzene.

Stankus B, Zotev N, Rogers DM, Gao Y, Odate A, Kirrander A, Weber PM.

J Chem Phys. 2018 May 21;148(19):194306. doi: 10.1063/1.5031787.

PMID:
30307219
17.

Effects of probe energy and competing pathways on time-resolved photoelectron spectroscopy: the ring-opening of 1,3-cyclohexadiene.

Tudorovskaya M, Minns RS, Kirrander A.

Phys Chem Chem Phys. 2018 Jul 4;20(26):17714-17726. doi: 10.1039/c8cp02397b.

PMID:
29876567
18.

Mapping the Complete Reaction Path of a Complex Photochemical Reaction.

Smith AD, Warne EM, Bellshaw D, Horke DA, Tudorovskya M, Springate E, Jones AJH, Cacho C, Chapman RT, Kirrander A, Minns RS.

Phys Rev Lett. 2018 May 4;120(18):183003. doi: 10.1103/PhysRevLett.120.183003.

PMID:
29775354
19.

Ab initio calculation of inelastic scattering.

Moreno Carrascosa A, Kirrander A.

Phys Chem Chem Phys. 2017 Aug 2;19(30):19545-19553. doi: 10.1039/c7cp02054f.

PMID:
28474039
20.

Imaging rotations and vibrations in polyatomic molecules with X-ray scattering.

Moreno Carrascosa A, Northey T, Kirrander A.

Phys Chem Chem Phys. 2017 Mar 15;19(11):7853-7863. doi: 10.1039/c6cp06793j.

PMID:
28262866
21.

Correction: Highlights from Faraday Discussion 194: Ultrafast Imaging of Photochemical Dynamics, Edinburgh, 2016.

Kirrander A, Minns RS.

Chem Commun (Camb). 2017 Jan 16;53(5):983. doi: 10.1039/c6cc90565j. Epub 2016 Dec 22.

PMID:
28004843
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.

Attosecond processes and X-ray spectroscopy: general discussion.

Milne CJ, Weber PM, Kowalewski M, Marangos JP, Johnson AS, Forbes R, Wörner HJ, Rolles D, Townsend D, Schalk O, Mai S, Vacher M, Miller RJ, Centurion M, Vibók Á, Domcke W, Cireasa R, Ueda K, Bencivenga F, Neumark DM, Stolow A, Rudenko A, Kirrander A, Dowek D, Martín F, Ivanov M, Dahlström JM, Dudovich N, Mukamel S, Sanchez-Gonzalez A, Minitti MP, Austin DR, Kimberg V, Masin Z.

Faraday Discuss. 2016 Dec 16;194:427-462. doi: 10.1039/c6fd90071b. No abstract available.

PMID:
27901538
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.

Preface.

Minns RS, Kirrander A.

Faraday Discuss. 2016 Dec 16;194:11-13. doi: 10.1039/c6fd90074g. No abstract available.

PMID:
27853774
26.

Highlights from Faraday Discussion 193: Ultrafast Imaging of Photochemical Dynamics, Edinburgh, 2016.

Kirrander A, Minns RS.

Chem Commun (Camb). 2016 Nov 17;52(94):13631-13636. No abstract available. Erratum in: Chem Commun (Camb). 2017 Jan 16;53(5):983.

PMID:
27824365
27.

Elastic X-ray scattering from state-selected molecules.

Northey T, Moreno Carrascosa A, Schäfer S, Kirrander A.

J Chem Phys. 2016 Oct 21;145(15):154304.

PMID:
27782487
28.

Femtosecond photodissociation dynamics of 1,4-diiodobenzene by gas-phase X-ray scattering and photoelectron spectroscopy.

Stankus B, Budarz JM, Kirrander A, Rogers D, Robinson J, Lane TJ, Ratner D, Hastings J, Minitti MP, Weber PM.

Faraday Discuss. 2016 Dec 16;194:525-536. doi: 10.1039/c6fd00135a.

PMID:
27711844
29.

Ultrafast X-ray Scattering from Molecules.

Kirrander A, Saita K, Shalashilin DV.

J Chem Theory Comput. 2016 Mar 8;12(3):957-67. doi: 10.1021/acs.jctc.5b01042. Epub 2016 Feb 10.

30.

Ab Initio Calculation of Molecular Diffraction.

Northey T, Zotev N, Kirrander A.

J Chem Theory Comput. 2014 Nov 11;10(11):4911-20. doi: 10.1021/ct500096r.

PMID:
26584376
31.

Imaging Molecular Motion: Femtosecond X-Ray Scattering of an Electrocyclic Chemical Reaction.

Minitti MP, Budarz JM, Kirrander A, Robinson JS, Ratner D, Lane TJ, Zhu D, Glownia JM, Kozina M, Lemke HT, Sikorski M, Feng Y, Nelson S, Saita K, Stankus B, Northey T, Hastings JB, Weber PM.

Phys Rev Lett. 2015 Jun 26;114(25):255501. Epub 2015 Jun 22.

PMID:
26197134
32.

From the (1B) Spectroscopic State to the Photochemical Product of the Ultrafast Ring-Opening of 1,3-Cyclohexadiene: A Spectral Observation of the Complete Reaction Path.

Pemberton CC, Zhang Y, Saita K, Kirrander A, Weber PM.

J Phys Chem A. 2015 Aug 20;119(33):8832-45. doi: 10.1021/acs.jpca.5b05672. Epub 2015 Aug 6.

PMID:
26192201
33.

Toward structural femtosecond chemical dynamics: imaging chemistry in space and time.

Minitti MP, Budarz JM, Kirrander A, Robinson J, Lane TJ, Ratner D, Saita K, Northey T, Stankus B, Cofer-Shabica V, Hastings J, Weber PM.

Faraday Discuss. 2014;171:81-91. doi: 10.1039/c4fd00030g. Epub 2014 Aug 7.

PMID:
25415842
34.

Suominen and Kirrander reply:.

Suominen HJ, Kirrander A.

Phys Rev Lett. 2014 Oct 31;113(18):189302. Epub 2014 Oct 28. No abstract available.

PMID:
25396401
35.

Chemical reaction dynamics I and electron dynamics in molecules: general discussion.

Vendrell O, Küpper J, Wolf M, Chapman H, Chergui M, Reid K, von Haeften K, Moshammer R, Williams G, Tehlar A, Dixit G, Wörner HJ, Underwood J, Marangos J, Woerner M, Bressler C, Minitti M, Kirrander A, Vozzi C, Rolles D.

Faraday Discuss. 2014;171:145-68. doi: 10.1039/c4fd90014f. Epub 2014 Oct 6. No abstract available.

PMID:
25285433
36.

How to observe coherent electron dynamics directly.

Suominen HJ, Kirrander A.

Phys Rev Lett. 2014 Jan 31;112(4):043002. Epub 2014 Jan 30.

PMID:
24580446
37.

Time-dependent resonant scattering: an analytical approach.

Lecomte JM, Kirrander A, Jungen Ch.

J Chem Phys. 2013 Oct 28;139(16):164111. doi: 10.1063/1.4825335.

PMID:
24182008
38.

X-ray diffraction assisted spectroscopy of Rydberg states.

Kirrander A.

J Chem Phys. 2012 Oct 21;137(15):154310. doi: 10.1063/1.4757913.

PMID:
23083168
39.

Communication: Heavy Rydberg states: the H+H- system.

Kirrander A.

J Chem Phys. 2010 Sep 28;133(12):121103. doi: 10.1063/1.3492371.

PMID:
20886917
40.

Control of ionization and dissociation by optical pulse trains.

Kirrander A, Jungen Ch, Fielding HH.

Phys Chem Chem Phys. 2010 Aug 21;12(31):8948-52. doi: 10.1039/c002517h. Epub 2010 Jun 8.

PMID:
20532353
41.

Optical phase and the ionization-dissociation dynamics of excited H(2).

Kirrander A, Fielding HH, Jungen Ch.

J Chem Phys. 2010 Jan 14;132(2):024313. doi: 10.1063/1.3285710.

PMID:
20095680
42.

Excitation, dynamics, and control of rotationally autoionizing Rydberg states of H2.

Kirrander A, Fielding HH, Jungen Ch.

J Chem Phys. 2007 Oct 28;127(16):164301.

PMID:
17979332
43.

Ab initio and quantum-defect calculations for the Rydberg states of ArH.

Kirrander A, Child MS, Stolyarov AV.

Phys Chem Chem Phys. 2006 Jan 14;8(2):247-55. Epub 2005 Oct 18.

PMID:
16482267
44.

Visualizing photochemical dynamics in solution through picosecond x-ray scattering.

Neutze R, Wouts R, Techert S, Davidsson J, Kocsis M, Kirrander A, Schotte F, Wulff M.

Phys Rev Lett. 2001 Nov 5;87(19):195508. Epub 2001 Oct 23.

PMID:
11690426

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