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.


A. Books edited 

Faraday Discussion Volume 194Ultrafast Imaging of Photochemical Dynamics’

Published by the Royal Society of Chemistry (2016)

Editors: A. Kirrander and R. S. Minns

 

B. Articles 

Kirrander, Weber, Applied Sciences (accepted)

Fundamental limits on spatial resolution in ultrafast X-ray diffraction

 

Moreno Carrascosa, Kirrander, Phys. Chem. Chem. Phys. (in press) DOI: 10.1039/C7CP02054F

“Inelastic ab initio scattering”

 

Stefanou, Saita, Shalashilin, Kirrander, Chem. Phys. Lett. (in press)

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

(http://dx.doi.org/10.​1016/​j.​cplett.​2017.​03.​007)


Bellshaw, Horke, Smith, Watts, Jager, Springate, Alexander, Cacho, Chapman, Kirrander, Minns

Chem. Phys. Lett. (in press)

Ab-Initio Surface Hopping and Multiphoton Ionisation Study of Photodissociation Dynamics of CS2

(http://dx.doi.org/10.1016/j.cplett.2017.02.058)

 

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

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

 (https://dx.doi.org/10.1039/C6CP06793J)

 

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

Elastic X-ray Scattering from State-Selected Molecules

(http://dx.doi.org/10.1063/1.4962256)

 

Stankus, Budarz, Kirrander, Rogers, Robinson, Lane, Ratner, Hastings, Minitti, Weber 

Faraday Discuss., 194, 525-536 (2016) DOI: 10.1039/C6FD00135A

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

 

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

Ultrafast X-ray Scattering from Molecules

                 

Budarz, Minitti, Cofer-Shabica, Stankus, Kirrander, Hastings, Weber

J. Phys. B, 49, 034001 (2016) doi: 10.1088/0953-4075/49/3/034001

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

 

Bainbridge, Harrington, Kirrander, Cacho, Springate, Bryan, Minns

New J. Phys., 17, 103013 (2015)

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

 

Pemberton, Zhang, Saita, Kirrander, 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"  

 

Minitti, Budarz, Kirrander, Robinson, Ratner, Lane, Zhu, Glownia, Kozina, Lemke, Sikorski, Feng, Nelson, Saita, Stankus, Northey, Hastings, and Weber

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

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


Northey, Zotev, Kirrander

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

"Ab initio diffraction from molecules"

 

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

 

Minitti, Budarz, Kirrander, Robinson, Ratner, Northey, Hastings, Weber

Faraday Discussion 171, 81-91 (2014) doi: 10.1039/C4FD00030G

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

 

Suominen, Kirrander, Phys. Rev. Lett. 112, 043002 (2014) doi: 10.1103/PhysRevLett.112.043002

"How to observe coherent electron dynamics directly"

                 

Lecomte, Kirrander, Jungen, J. Chem. Phys. 139, 164111 (2013)

"Time-dependent resonant scattering – an analytical approach"

                 

Kirrander, Rittenhouse, Ascoli, Eyler, Gould, Sadeghpour, Phys. Rev. A 87, 031402 (2013)

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

 

A. Kirrander, J. Chem. Phys., 137, 154310 (2012)

“X-ray diffraction assisted spectroscopy of Rydberg states”

 

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

“Molecular ion pair states in ungerade H2

 

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

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

 

A. Kirrander, J. Chem. Phys., 133, 121103 (2010)

“Communication: Heavy Rydberg states: The H+H- system”


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

“Control of ionization and dissociation in H2

 

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

Optical phase and the ionization-dissociation dynamics of excited H2

 

Shalashilin, Child, Kirrander, Chem. Phys. 347, 257 (2008)

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

 

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

“Localization of electronic wave packets in H2” 

 

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

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

 

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

“Coherent control in the continuum: autoionization of Xe”

 

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

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

 

Neutze, Techert, Davidsson, Kocsis, Kirrander, Schotte, Wulff, Phys. Rev. Lett. 87, 195508 (2001)“Visualizing Photochemical Dynamics in Solution through Picosecond X-Ray Scattering”

                 

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

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

 

 

C. Journal and Conference papers

 

 Kirrander and Minns (Editorial) doi: 10.1039/c6fd90074g

Faraday Discuss., 194, 11-13 (2016)

 

Kirrander and Minns

Chem. Comm. 52, 13631-13636 (2016) doi: 10.1039/c6cc90504h

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

 

Neutze, Wouts, Techert, Kirrander, Davidson, Kocsis, Schotte, Wulff

Highlights of the ESRF 2000 15-16 (2000)

Picosecond structures of photosensitive molecules using pulsed synchrotron radiation

 

Kirrander, Faraday Discuss., 194, 583-620 (2016), doi: 10.1039/c6fd90072k

Structural dynamics: general discussion”

 

Kirrander, Faraday Discuss., 194, 427-462 (2016) doi:  10.1039/c6fd90071b

Attosecond processes and X-ray spectroscopy: general discussion

 

Kirrander, Faraday Discuss., 194, 209–257 (2016) doi: 10.1039/c6fd90070d

 “Electronic and non-adiabatic dynamics: general discussion

 

Kirrander, Faraday Discuss., 171, 145-168 (2014) doi: 10.1039/c4fd90014f

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

 

Kirrander, Faraday Discuss., 163, 393-432 (2013) doi:10.1039/C3FD90019C

Photo-initiated Molecular Quantum Dynamics: General Discussion

 

Kirrander, Faraday Discuss., 163, 513-543 (2013) doi:10.1039/C3FD90020G 

Photo-initiated Molecular Quantum Dynamics: General Discussion

 

Wu, Augstein, Kirrander, Shalashilin, Faria, Research in Optical Sciences, JT2A.53 (2012)

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

 

Kirrander, Sadeghpour, Bull. Am. Phys. Soc. 57, M6.00007 (2012)

“Theoretical Dynamics of Heavy Rydberg States in Rb2

 

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

Quantum dynamics in strong fields with Fermion Coupled Coherent States”