Publications

Our listing on Edinburgh Research Explorer contains clickable links and preprints of most of the papers.

You can also track most of our publications and citations on Google Scholar.


Books edited 

A Kirrander and R S Minns

Faraday Discussion 194 1-840 (2016)

Ultrafast Imaging of Photochemical Dynamics’

Published by the Royal Society of Chemistry

ISBN 978-1-78262-479-0

 

Editorial: A Kirrander and R S Minns

Faraday Discussussion 194 11-13 (2016)

DOI: 10.1039/c6fd90074g

 

Highlight: A Kirrander and R S Minns

Chem. Comm. 52, 13631-13636 (2016)

DOI: 10.1039/c6cc90504h

 


Articles 

A Kirrander and P M Weber, Applied Sciences 7 534 (2017)

Fundamental limits on spatial resolution in ultrafast X-ray diffraction

DOI: 10.3390/app7060534


A Moreno Carrascosa and A Kirrander, Phys. Chem. Chem. Phys. 19 19545-19553  (2017)

Inelastic ab initio scattering

DOI: 10.1039/C7CP02054F


 

M Stefanou, K Saita, D V Shalashilin, A Kirrander, Chem. Phys. Lett. 683 300-305 (2017)

Comparison of ultrafast electron and X-ray diffraction - A computational study”

DOI: 10.1016/​j.​cplett.​2017.03.​007

 

D Bellshaw, D A Horke, A D Smith, H M Watts, E Jager, E Springate, O Alexander, C Cacho, R T Chapman, A Kirrander and R S Minns, Chem. Phys. Lett. 683 383-388 (2017)

Ab-Initio Surface Hopping and Multiphoton Ionisation Study of Photodissociation Dynamics of CS2
DOI: 10.1016/j.cplett.2017.02.058


A Moreno Carrascosa, T Northey, A Kirrander, Phys. Chem. Chem. Phys. 19 7853 - 7863 (2017)

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

 DOI: 10.1039/C6CP06793J

 

T Northey, A Moreno Carrascosa, S Schäfer, A Kirrander, J. Chem. Phys. 145 154304 (2016)

 “Elastic X-ray Scattering from State-Selected Molecules

DOI: 10.1063/1.4962256

 

B Stankus, J M Budarz, A Kirrander, D Rogers, J Robinson, T J Lane, D Ratner, J Hastings, M P Minitti, P M Weber, Faraday Discussussion 194 525-536 (2016)

Femtosecond Photodissociation Dynamics of 1,4-Diiodobenzene by Gas-Phase X-Ray Scattering and Photoelectron Spectroscopy

DOI: 10.1039/C6FD00135A

 

A Kirrander, K Saita, D Shalashilin, J. Chem. Theory Comput. 12 957−967 (2016)

Ultrafast X-ray Scattering from Molecules

DOI: 10.1021/acs.jctc.5b01042

           

J M Budarz, M P Minitti, D V Cofer-Shabica, B Stankus, A Kirrander, J B Hastings, P M Weber

J. Phys. B, 49, 034001 (2016)

Observation of femtosecond molecular dynamics via pump–probe gas phase x-ray scattering

DOI: 10.1088/0953-4075/49/3/034001


A R Bainbridge, J Harrington, A Kirrander, C Cacho, E Springate, W A Bryan, R S Minns

New J. Phys. 17 103013 (2015)

“VUV Excitation of a Vibrational Wavepacket in D2 Measured Through Strong-Field Dissociative Ionisation"

DOI:10.1088/1367-2630/17/10/103013


C Pemberton, Y Zhang, K Saita, A Kirrander, P M Weber, J. Phys. Chem. A 119 8832-8845 (2015)

"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"

DOI: 10.1021/acs.jpca.5b05672         

 

M P Minitti, J Budarz, A Kirrander, J Robinson, D Ratner, T J Lane, D Zhu, J M Glownia, M Kozina, H T Lemke, M Sikorski, Y Feng, S Nelson, K Saita, B Stankus, T Northey, J B Hastings, and P M Weber

Phys. Rev. Lett. 114, 255501 (2015)

Imaging molecular motion: Femtosecond x-ray scattering of an electrocyclic chemical reaction”

DOI: 10.1103/PhysRevLett.114.255501


   

T Northey, N Zotev, A Kirrander

J. Chem. Theory and Computation 10 (11) 4911–4920 (2014)

"Ab initio diffraction from molecules"

 DOI: 10.1021/ct500096r

 

H Suominen and A Kirrander, Phys. Rev. Lett. 113, 189302 (2014) “Reply to Comment”

 

M P Minitti, J Budarz, A Kirrander, J Robinson, D Ratner, T Northey, J B Hastings, P M Weber

 Faraday Discussion 171 81-91 (2014)

"Towards Femtosecond Chemical Dynamics: Imaging Chemistry in Space and Time”

DOI: 10.1039/C4FD00030G

 

H Suominen and A Kirrander, Phys. Rev. Lett. 112 043002 (2014)

"How to observe coherent electron dynamics directly"

 DOI: 10.1103/PhysRevLett.112.043002


 

 J-M Lecomte, A Kirrander, C Jungen, J. Chem. Phys. 139, 164111 (2013)

"Time-dependent resonant scattering – an analytical approach"

http://dx.doi.org/10.1063/1.4825335


 

A Kirrander, S Rittenhouse, M Ascoli, E E Eyler, P L Gould, H R Sadeghpour

Phys. Rev. A 87 031402 (2013)

“Approach to form long-range ion-pair molecules in an ultracold Rb gas”

 DOI: 10.1103/PhysRevA.87.031402

 

A Kirrander and C Jungen, Phys. Rev. A 84 052512 (2011)

 “Molecular ion pair states in ungerade H2

DOI: 10.1103/PhysRevA.84.052512

 

A Kirrander and D V Shalashilin, Phys. Rev. A 84 033406 (2011)

“Quantum dynamics with fermion coupled coherent states: Theory and application to electron dynamics in laser fields”

DOI: 10.1103/PhysRevA.84.033406

 

A Kirrander, C Jungen, H H Fielding, Phys. Chem. Chem. Phys. 12 8948-8952 (2010)

“Control of ionization and dissociation in H2

 DOI: 10.1039/c002517h

·       Featured in Virtual Journal of Ultrafast Science 9(11), Sep 2010 www.vjultrafast.org.

 

 A Kirrander, H H Fielding, C Jungen, J. Chem. Phys. 132 024313 (2010)

“Optical phase and the ionization-dissociation dynamics of excited H2

 DOI:10.1063/1.3285710

·       Featured in Virtual Journal of Ultrafast Science 9(2), Feb 2010 www.vjultrafast.org.

 

 D V Shalashilin, M S Child, A Kirrander, Chem. Phys. 347 257 (2008)

“Mechanism of strong-field double ionization from simulations with Coupled Coherent States”

DOI:10.1016/j.chemphys.2007.11.006

 

A Kirrander, C Jungen, H H Fielding, J. Phys. B. 41 074022 (2008)

“Localization of electronic wave packets in H2” 

DOI:10.1088/0953-4075/41/7/074022

 

A Kirrander, H H Fielding, C Jungen, J. Chem. Phys. 127 164301 (2007)

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

DOI: 10.1063/1.2798764

·       Featured in Virtual Journal of Ultrafast Science 6(11), Nov 2007 www.vjultrafast.org.

 

A Kirrander and H H Fielding, J. Phys. B. 40 897-908 (2007)

“Coherent control in the continuum: autoionization of Xe”

DOI:10.1088/0953-4075/40/5/006

 

A Kirrander, M S Child, A Stolyarov, Phys. Chem. Chem. Phys. 8 247 (2006)

“Ab initio and quantum defect calculations for the Rydberg states of ArH”

DOI: 10.1039/b511864f

 

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

Phys. Rev. Lett. 87 195508 (2001)

“Visualizing Photochemical Dynamics in Solution through Picosecond X-Ray Scattering”

DOI: 10.1103/PhysRevLett.87.195508

·       Featured in Highlights of the ESRF 2000 15-16 (2000).

 

T Fängstrom, A Kirrander, L Eriksson, S Lunell, J. Chem. Soc. Far. Trans. 94, 777-782 (1998)

“The reaction between aluminium and dimethyl ether: density functional theory and EPR results”        

DOI: 10.1039/A706667H

 



Journal and Conference papers


A Kirrander and R S Minns (Editorial)

Faraday Discussion 194 11-13 (2016)

DOI: 10.1039/c6fd90074g

 

A Kirrander and R S Minns

Chem. Comm. 52, 13631-13636 (2016)

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

DOI: 10.1039/c6cc90504h

 

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

Highlights of the ESRF 2000 15-16 (2000)

Picosecond structures of photosensitive molecules using pulsed synchrotron radiation

 

A Kirrander, Faraday Discussion 194 583-620 (2016) DOI: 10.1039/c6fd90072k

Structural dynamics: general discussion”

 

 A Kirrander, Faraday Discussion 194 427-462 (2016) DOI:  10.1039/c6fd90071b

 “Attosecond processes and X-ray spectroscopy: general discussion

 

 A Kirrander, Faraday Discussion 194 209–257 (2016) DOI: 10.1039/c6fd90070d

 “Electronic and non-adiabatic dynamics: general discussion

 

 A Kirrander, Faraday Discussion 171, 145-168 (2014) DOI: 10.1039/c4fd90014f

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

 

A Kirrander, Faraday Discussion 163 393-432 (2013) DOI:10.1039/C3FD90019C

Photo-initiated Molecular Quantum Dynamics: General Discussion

 

 A Kirrander, Faraday Discussion 163 513-543 (2013) DOI:10.1039/C3FD90020G 

Photo-initiated Molecular Quantum Dynamics: General Discussion

 

 Y Wu, B Augstein, A Kirrander, D V Shalashilin, C Faria

Research in Optical Sciences, JT2A.53 (2012)

 “Coupled-coherent state approach for high-order harmonic generation

 

 A Kirrander and H R Sadeghpour, Bull. Am. Phys. Soc. 57 M6.00007 (2012)

“Theoretical Dynamics of Heavy Rydberg States in Rb2

 

 A Kirrander, Bull. Am. Phys. Soc. 57 D1.00037 (2012)

Quantum dynamics in strong fields with Fermion Coupled Coherent States”