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Publikationer

Publikationer från Fysikum registreras i DIVA databasen vid Stockholms universitet.

Nedan listas publikationer från samtliga medlemar vid avdelningen för kemisk fysik. Följ länken till DIVA databasen för att söka efter publikationer av enskilda medlemmar vid avdelningen för kemisk fysik.


On the origin of high transient anisotropies : An exemplification in a Cd-porphyrin
Liang, Yu; Klinger, Melanie; Schalk, Oliver; Unterreiner, Andreas-Neil
Journal of Chemical Physics 139, 224309 (2013).
DOI:10.1063/1.4840415

Experimental Investigations into Astrophysically Relevant Ionic Reactions
Geppert, Wolf D.; Larsson, Mats
Chemical Reviews 113, 8872 (2013).
DOI:10.1021/cr400258m

Solvent-Dependent Conformational States of a [2]Rotaxane-Based Molecular Machine : A Molecular Dynamics Perspective
Jena, Naresh K.; Murugan, N. Arul
The Journal of Physical Chemistry C 117, 25059 (2013).
DOI:10.1021/jp406576m

Selective Probing of the OH or OD Stretch Vibration in Liquid Water Using Resonant Inelastic Soft-X-Ray Scattering
Harada, Yoshihisa; Tokushima, Takashi; Horikawa, Yuka; Takahashi, Osamu; Niwa, Hideharu; Kobayashi, Masaki; Oshima, Masaharu; Senba, Yasunori; Ohashi, Haruhiko; Wikfeldt, Kjartan Thor; Nilsson, Anders ; Pettersson, Lars G. M.; Shin, Shik
Physical Review Letters 111, 193001 (2013).
DOI:10.1103/PhysRevLett.111.193001

Collective hydrogen-bond dynamics dictates the electronic structure of aqueous I-3(-)
Josefsson, Ida; Eriksson, Susanna K.; Ottosson, Niklas; Ohrwall, Gunnar; Siegbahn, Hans; Hagfeldt, Anders; Rensmo, Håkan; Björneholm, Olle; Odelius, Michael
Physical Chemistry, Chemical Physics - PCCP 15, 20189 (2013).
DOI:10.1039/c3cp52866a
URL:http://www.physto.se/~odelius/publications.html

Substituent Effects on Dynamics at Conical Intersections : Cycloheptatrienes
Schalk, Oliver ; Boguslavskiy, Andrei E.; Schuurman, Michael S.; Brogaard, Rasmus Y.; Unterreiner, Andreas N.; Wrona-Piotrowicz, Anna; Werstiuk, Nick H.; Stolow, Albert
Journal of Physical Chemistry A 117, 10239 (2013).
DOI:10.1021/jp309875m

Dissociative Recombination of CH4+
Thomas, Richard D.; Kashperka, Iryna; Vigren, Erik; Geppert, Wolf D.; Hamberg, Mathias; Larsson, Mats; af Ugglas, Magnus; Zhaunerchyk, Vitali
Journal of Physical Chemistry A 117, 9999 (2013).
DOI:10.1021/jp400353x

DISSOCIATIVE RECOMBINATION MEASUREMENTS OF HCl+ USING AN ION STORAGE RING
Novotny, O.; Becker, A.; Buhr, H.; Domesle, C.; Geppert, Wolf D.; Grieser, M.; Krantz, C.; Kreckel, H.; Repnow, R.; Schwalm, D.; Spruck, K.; Stuetzel, J.; Yang, B.; Wolf, A.; Savin, D. W.
Astrophysical Journal 777, 54 (2013).
DOI:10.1088/0004-637X/777/1/54

Ultrafast Dynamics of meso-Tetraphenylmetalloporphyrins : The Role of Dark States
Liang, Yu; Bradler, Maximilian; Klinger, Melanie; Schalk, Oliver; Balaban, Mihaela Carmen; Balaban, Teodor Silviu; Riedle, Eberhard; Unterreiner, Andreas-Neil
CHEMPLUSCHEM 78, 1244 (2013).
DOI:10.1002/cplu.201300143

PHOTODETACHMENT AS A DESTRUCTION MECHANISM FOR CN- AND C3N- ANIONS IN CIRCUMSTELLAR ENVELOPES
Kumar, S. S.; Hauser, D.; Jindra, R.; Best, T.; Roucka, S.; Geppert, Wolf D.; Millar, T. J.; Wester, R.
Astrophysical Journal 776, 25 (2013).
DOI:10.1088/0004-637X/776/1/25

Coupling of spin and vibrational degrees of freedom of adsorbates at metal surfaces probed by vibrational sum-frequency generation
Östrom, Henrik ; Krenz, M.; Radu, I.; Bovensiepen, U.; Wolf, M.; Frischkorn, C.
Applied Physics Letters 103, 132403 (2013).
DOI:10.1063/1.4822120

Double core-hole formation in small molecules at the LCLS free electron laser
Larsson, Mats; Salén, Peter; van der Meulen, Peter; Schmidt, Henning T.; Thomas, Richard D.; Feifel, R.; Piancastelli, M. N.; Fang, L.; Murphy, B. F.; Osipov, T.; Berrah, N.; Kukk, E.; Ueda, K.; Bozek, J. D.; Bostedt, C.; Wada, S.; Richter, R.; Feyer, V.; Prince, K. C.
Journal of Physics B 46, 164030 (2013).
DOI:10.1088/0953-4075/46/16/164030

Using covariance mapping to investigate the dynamics of multi-photon ionization processes of Ne atoms exposed to X-FEL pulses
Zhaunerchyk, V.; Mucke, M.; Salén, Peter; van der Meulen, Peter; Kaminska, M.; Squibb, R. J.; Frasinski, L. J.; Siano, M.; Eland, J. H. D.; Linusson, Per; Thomas, Richard D.; Larsson, Mats; Foucar, L.; Ullrich, J.; Motomura, K.; Mondal, S.; Ueda, K.; Osipov, T.; Fang, L.; Murphy, B. F.; Berrah, N.; Bostedt, C.; Bozek, J. D.; Schorb, S.; Messerschmidt, M.; Glownia, J. M.; Cryan, J. P.; Coffee, R. N.; Takahashi, O.; Wada, S.; Piancastelli, M. N.; Richter, R.; Prince, K. C.; Feifel, R.
Journal of Physics B 46, 164034 (2013).
DOI:10.1088/0953-4075/46/16/164034

Autocatalytic decomposition of carbonic acid
de Marothy, Sven
International Journal of Quantum Chemistry 113, 2306 (2013).
DOI:10.1002/qua.24452

Resonant inelastic X-ray scattering of liquid water
Nilsson, Anders; Tokushima, Takashi; Horikawa, Yuka; Harada, Yoshihisa; Ljungberg, Mathias P.; Shin, Shik; Pettersson, Lars G. M.
Journal of Electron Spectroscopy and Related Phenomena 188, 84 (2013).
DOI:10.1016/j.elspec.2012.09.011

Reconstruction of tip-surface interactions with multimodal intermodulation atomic force microscopy
Borysov, Stanislav S.; Platz, Daniel; de Wijn, Astrid S.; Forchheimer, Daniel; Tolen, Eric A.; Balatsky, Alexander V.; Haviland, David B.
Physical Review B. Condensed Matter and Materials Physics 88, 115405 (2013).
DOI:10.1103/PhysRevB.88.115405

Complete double valence photoionization study of the electron spectra of krypton
Linusson, Per; Hedin, L.; Eland, J. H. D.; Squibb, R. J.; Mucke, M.; Zagorodskikh, S.; Karlsson, L.; Feifel, R.
Physical Review A. Atomic, Molecular, and Optical Physics 88, 022510 (2013).
DOI:10.1103/PhysRevA.88.022510

Stability of Pt-Modified Cu(111) in the Presence of Oxygen and Its Implication on the Overall Electronic Structure
Öberg, Henrik; Anniyev, Toyli; Vojvodic, Aleksandra; Kaya, Sarp; Ogasawara, Hirohito; Friebel, Daniel; Miller, Daniel J.; Nordlund, Dennis; Bergmann, Uwe; Ljungberg, Mathias P.; Abild-Pedersen, Frank; Nilsson, Anders ; Pettersson, Lars G.M.
The Journal of Physical Chemistry C 117, 16371 (2013).
DOI:10.1021/jp400486r

Dynamics of Hollow Atom Formation in Intense X-Ray Pulses Probed by Partial Covariance Mapping
Frasinski, L. J.; Zhaunerchyk, V.; Mucke, M.; Squibb, R. J.; Siano, M.; Eland, J. H. D.; Linusson, Per; van der Meulen, Peter; Sahlén, Martin; Thomas, Richard; Larsson, Mats; Foucar, L.; Ullrich, J.; Motomura, K.; Mondal, S.; Ueda, K.; Osipov, T.; Fang, L.; Murphy, B. F.; Berrah, N.; Bostedt, C.; Bozek, J. D.; Schorb, S.; Messerschmidt, M.; Glownia, J. M.; Cryan, J. P.; Coffee, R. N.; Takahashi, O.; Wada, S.; Piancastelli, M. N.; Richter, R.; Prince, K. C.; Feifel, R.
Physical Review Letters 111, 073002 (2013).
DOI:10.1103/PhysRevLett.111.073002

Electron- and phonon-coupling in femtosecond laser-induced desorption of CO from Ru(0001)
Gladh, Jörgen; Hansson, Tony; Östrom, Henrik
Surface Science 615, 65 (2013).
DOI:10.1016/j.susc.2013.05.002

Unique water-water coordination tailored by a metal surface
Schiros, Theanne; Andersson, K. J.; MacNaughton, J.; Gladh, Jörgen; Matsuda, Akitaka; Östrom, Henrik; Takahashi, O.; Pettersson, Lars G. M.; Nilsson, Anders ; Ogasawara, H.
Journal of Chemical Physics 138, 234708 (2013).
DOI:10.1063/1.4809680

Ultrafast soft X-ray emission spectroscopy of surface adsorbates using an X-ray free electron laser
Katayama, T.; Anniyev, T.; Beye, M.; Coffee, R.; Dell'Angela, M.; Foehlisch, A.; Gladh, Jörgen; Kaya, S.; Krupin, O.; Nilsson, Anders ; Nordlund, D.; Schlotter, W. F.; Sellberg, Jonas A. ; Sorgenfrei, F.; Turner, J. J.; Wurth, W.; Östrom, Henrik; Ogasawara, H.
Journal of Electron Spectroscopy and Related Phenomena 187, 9 (2013).
DOI:10.1016/j.elspec.2013.03.006

The Boson peak in supercooled water
Kumar, Pradeep; Wikfeldt, Thor Kjartan ; Schlesinger, Daniel; Pettersson, Lars G.M. ; Stanley, H. Eugene
Scientific Reports 3, 1980 (2013).
DOI:10.1038/srep01980
URL:http://www.readcube.com/articles/10.1038%2Fsrep01980

Lyapunov instabilities in lattices of interacting classical spins at infinite temperature
de Wijn, A. S.; Hess, B.; Fine, B. V.
Journal of Physics A 46, 254012 (2013).
DOI:10.1088/1751-8113/46/25/254012

Atomic scale friction of molecular adsorbates during diffusion
Lechner, B. A. J.; de Wijn, A. S.; Hedgeland, H.; Jardine, A. P.; Hinch, B. J.; Allison, W.; Ellis, J.
Journal of Chemical Physics 138, 194710 (2013).
DOI:10.1063/1.4804269

A METHOD FOR EXTRACTING THE RESONANCE PARAMETERS FROM EXPERIMENTAL CROSS-SECTIONS
Rakityansky, S. A.; Elander, Nils O.
International Journal of Modern Physics E 22, UNSP 1350032 (2013).
DOI:10.1142/S0218301313500328

First storage of ion beams in the Double Electrostatic Ion-Ring Experiment : DESIREE
Schmidt, Henning T.; Thomas, Richard D.; Gatchell, Michael; Rosén, Stefan; Reinhed, Peter; Löfgren, Patrik; Brännholm, Lars; Blom, Mikael; Björkhage, Mikael; Bäckström, Erik; Alexander, John D.; Leontein, Sven; Hanstorp, D.; Zettergren, Henning; Liljeby, Leif; Källberg, Anders; Simonsson, Ansgar; Hellberg, Fredrik; Mannervik, Sven; Larsson, Mats; Geppert, Wolf D.; Rensfelt, Karl-Gunnar; Danared, Håkan; Paal, A.; Masuda, Masaharu; Hallden, Per; Andler, Guillermo; Stockett, Mark H.; Chen, Tao; Källersjö, Gunnar; Weimer, Jan; Hansen, K.; Hartman, H.; Cederquist, Henrik
Review of Scientific Instruments 84, 055115 (2013).
DOI:10.1063/1.4807702

Collision-induced dissociation of similar to 2-MeV O-3(+) and N-3(+) ions
Vigren, E.; Zheltukhin, Aleksandr A.; Geppert, Wolf D.; Larsson, Mats; Bahati, E.; Vane, C. R.; Bannister, M. E.; Fogle, M. R.; Hamberg, M.; Danielsson, M.; Kaminska, M.; Thomas, Richard D.
Physical Review A. Atomic, Molecular, and Optical Physics 87, 052707 (2013).
DOI:10.1103/PhysRevA.87.052707

Selective Ultrafast Probing of Transient Hot Chemisorbed and Precursor States of CO on Ru(0001)
Beye, M.; Anniyev, T.; Coffee, R.; Dell'Angela, M.; Foehlisch, A.; Gladh, Jörgen; Katayama, T.; Kaya, S.; Krupin, O.; Mogelhoj, A.; Nilsson, Anders; Nordlund, D.; Norskov, J. K.; Öberg, Henrik; Ogasawara, H.; Pettersson, Lars G.M. ; Schlotter, W. F.; Sellberg, Jonas; Sorgenfrei, F.; Turner, J. J.; Wolf, M.; Wurth, W.; Öström, Henrik
Physical Review Letters 110, 186101 (2013).
DOI:10.1103/PhysRevLett.110.186101

Solvation structures of protons and hydroxide ions in water
Chen, Chen; Huang, Congcong; Waluyo, Iradwikanari; Nordlund, Dennis; Weng, Tsu-Chien; Sokaras, Dimosthenis; Weiss, Thomas; Bergmann, Uwe; Pettersson, Lars G.M. ; Nilsson, Anders
Journal of Chemical Physics 138, 154506 (2013).
DOI:10.1063/1.4801512

Simultaneous Femtosecond X-ray Spectroscopy and Diffraction of Photosystem II at Room Temperature
Kern, Jan; Alonso-Mori, Roberto; Tran, Rosalie; Hattne, Johan; Gildea, Richard J.; Echols, Nathaniel; Gloeckner, Carina; Hellmich, Julia; Laksmono, Hartawan; Sierra, Raymond G.; Lassalle-Kaiser, Benedikt; Koroidov, Sergey; Lampe, Alyssa; Han, Guangye; Gul, Sheraz; DiFiore, Doerte; Milathianaki, Despina; Fry, Alan R.; Miahnahri, Alan; Schafer, Donald W.; Messerschmidt, Marc; Seibert, M. Marvin; Koglin, Jason E.; Sokaras, Dimosthenis; Weng, Tsu-Chien; Sellberg, Jonas; Latimer, Matthew J.; Grosse-Kunstleve, Ralf W.; Zwart, Petrus H.; White, William E.; Glatzel, Pieter; Adams, Paul D.; Bogan, Michael J.; Williams, Garth J.; Boutet, Sebastien; Messinger, Johannes; Zouni, Athina; Sauter, Nicholas K.; Yachandra, Vittal K.; Bergmann, Uwe; Yano, Junko
Science 340, 491 (2013).
DOI:10.1126/science.1234273

On the Condensed Phase Ring-Closure of Vinylheptafulvalene and Ring-Opening of Gaseous Dihydroazulene
Schalk, Oliver ; Broman, Sören L.; Petersen, Michael A.; Khakhulin, Dmitry V.; Brogaard, Rasmus Y.; Nielsen, Mogens Brondsted; Boguslavskiy, Andrey E.; Stolow, Albert; Solling, Theis I.
Journal of Physical Chemistry A 117, 3340 (2013).
DOI:10.1021/jp400616c

Resonances and Their Relations to Spectral Densities and Scattering Cross Sections in the Schrodinger Formulation
Elander, Nils O; Rakityansky, Sergei
Few-body systems 54, 685 (2013).
DOI:10.1007/s00601-012-0443-x

Analytic Structure and Power-Series Expansion of the Jost Matrix
Rakityansky, S. A.; Elander, Nils O.
Few-body systems 54, 673 (2013).
DOI:10.1007/s00601-012-0376-4

Initial Processes of Proton Transfer in Salicylideneaniline Studied by Time-Resolved Photoelectron Spectroscopy
Sekikawa, Taro; Schalk, Oliver ; Wu, Guorong; Boguslavskiy, Andrey E.; Stolow, Albert
Journal of Physical Chemistry A 117, 2971 (2013).
DOI:10.1021/jp4016036

Ultrafast photoinduced dynamics of halogenated cyclopentadienes : observation of geminate charge-transfer complexes in solution
Wolf, T. J. A.; Schalk, Oliver ; Radloff, R.; Wu, G.; Lang, P.; Stolow, A.; Unterreiner, A. -N
Physical Chemistry, Chemical Physics - PCCP 15, 6673 (2013).
DOI:10.1039/c3cp44295k

Hydration Dynamics of Aqueous Nitrate
Thogersen, Jan; Rehault, Julien; Odelius, Michael; Ogden, Tom; Jena, Naresh K.; Jensen, Svend J. Knak; Keiding, Søren R.; Helbing, Jan
Journal of Physical Chemistry B 117, 3376 (2013).
DOI:10.1021/jp310090u

Real-Time Observation of Surface Bond Breaking with an X-ray Laser
Dell'Angela, M.; Anniyev, T.; Beye, M.; Coffee, R.; Foehlisch, A.; Gladh, Jörgen; Katayama, T.; Kaya, S.; Krupin, O.; LaRue, J.; Mogelhoj, A.; Nordlund, D.; Norskov, J. K.; Öberg, Henrik; Ogasawara, H.; Öström, Henrik; Pettersson, Lars G. M.; Schlotter, W. F.; Sellberg, Jonas A. ; Sorgenfrei, F.; Turner, J. J.; Wolf, M.; Wurth, W.; Nilsson, Anders
Science 339, 1302 (2013).
DOI:10.1126/science.1231711

Single-photon multiple ionization processes studied by electron coincidence spectroscopy
Linusson, Per
PhD thesis (2013).

Single-photon multiple ionization forming double vacancies in the 2p subshell of argon
Linusson, Per; Fritzsche, S.; Eland, J. H. D.; Mucke, M.; Feifel, R.
Physical Review A. Atomic, Molecular, and Optical Physics 87, 043409 (2013).
DOI:10.1103/PhysRevA.87.043409

Anomalous molecular dynamics in the vicinity of a conical intersection
Larson, J.; Ghassemi, E. Nour; Larson, Åsa
Europhysics letters 101, 43001 (2013).
DOI:10.1209/0295-5075/101/43001

Multichannel-quantum-defect-theory treatment of reactive collisions between electrons and BeH+
Niyonzima, S.; Lique, F.; Chakrabarti, K.; Larson, Åsa; Orel, A. E.; Schneider, I. F.
Physical Review A. Atomic, Molecular, and Optical Physics 87, 022713 (2013).
DOI:10.1103/PhysRevA.87.022713

Investigation of scattering processes in quantum few-body systems involving long-range interaction by the complex-rotation method
Volkov, M. V.; Elander, Nils; Yakovlev, S. L.; Yarevsky, E. A.
Physics of Atomic Nuclei 76, 188 (2013).
DOI:10.1134/S1063778813010158

Highly Compressed Two-Dimensional Form of Water at Ambient Conditions
Kaya, Sarp; Schlesinger, Daniel; Yamamoto, Susumu; Newberg, John T.; Bluhm, Hendrik; Ogasawara, Hirohito; Kendelewicz, Tom; Brown, Gordon E., Jr.; Pettersson, Lars G. M.; Nilsson, Anders
Scientific Reports 3, 1074 (2013).
DOI:10.1038/srep01074

Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q-range
Skinner, Lawrie B.; Huang, Congcong; Schlesinger, Daniel; Pettersson, Lars G. M.; Nilsson, Anders; Benmore, Chris J.
Journal of Chemical Physics 138, 074506 (2013).
DOI:10.1063/1.4790861

Formation and decay of core-orbital vacancies in the water molecule
Mucke, M.; Eland, J. H. D.; Takahashi, O.; Linusson, Per; Lebrun, D.; Ueda, K.; Feifel, R.
Chemical Physics Letters 558, 82 (2013).
DOI:10.1016/j.cplett.2012.11.094

Theoretical EXAFS studies of a model of the oxygen-evolving complex of photosystem II obtained with the quantum cluster approach
Li, Xichen ; Sproviero, Eduardo M.; Ryde, Ulf; Batista, Victor S.; Chen, Guangju
International Journal of Quantum Chemistry 113, 474 (2013).
DOI:10.1002/qua.24143

Zero-field splitting in nickel(II) complexes : A comparison of DFT and multi-configurational wavefunction calculations
Kubica, A.; Kowalewski, Jozef; Kruk, D.; Odelius, Michel
Journal of Chemical Physics 138, 064304 (2013).
DOI:10.1063/1.4790167

Criticality in Dynamic Arrest: Correspondence between Glasses and Traffic
de Wijn, Astrid S. ; Miedema, Daniel; Schall, Peter; Nienhuis, Bernard
Physical Review Letters 109, 228001 (2012).
DOI:10.1103/PhysRevLett.109.228001

Fluctuations in ambient water
Nilsson, Anders; Huang, Congcong; Pettersson, Lars G. M.
Journal of Molecular Liquids 176, 2 (2012).
DOI:10.1016/j.molliq.2012.06.021

Probing the Nature of Chemical Bonding in Uranyl(VI) Complexes with Quantum Chemical Methods
Vallet, Valerie; Wahlgren, Ulf; Grenthe, Ingmar
Journal of Physical Chemistry A 116, 12373 (2012).
DOI:10.1021/jp3091123

Energy-dispersive X-ray emission spectroscopy using an X-ray free-electron laser in a shot-by-shot mode
Alonso-Mori, Roberto; Kern, Jan; Gildea, Richard J.; Sokaras, Dimosthenis; Weng, Tsu-Chien; Lassalle-Kaiser, Benedikt; Tran, Rosalie; Hattne, Johan; Laksmono, Hartawan; Hellmich, Julia; Gloeckner, Carina; Echols, Nathaniel; Sierra, Raymond G.; Schafer, Donald W.; Sellberg, Jonas; Kenney, Christopher; Herbst, Ryan; Pines, Jack; Hart, Philip; Herrmann, Sven; Grosse-Kunstleve, Ralf W.; Latimer, Matthew J.; Fry, Alan R.; Messerschmidt, Marc M.; Miahnahri, Alan; Seibert, M. Marvin; Zwart, Petrus H.; White, William E.; Adams, Paul D.; Bogan, Michael J.; Boutet, Sebastien; Williams, Garth J.; Zouni, Athina; Messinger, Johannes; Glatzel, Pieter; Sauter, Nicholas K.; Yachandra, Vittal K.; Yano, Junko; Bergmann, Uwe
Proceedings of the National Academy of Sciences of the United States of America 109, 19103 (2012).
DOI:10.1073/pnas.1211384109

Dissecting Local Atomic and Intermolecular Interactions of Transition-Metal Ions in Solution with Selective X-ray Spectroscopy
Wernet, Philippe; Kunnus, Kristjan; Schreck, Simon; Quevedo, Wilson; Kurian, Reshmi; Techert, Simone; de Groot, Frank M. F.; Odelius, Michael; Föhlisch, Alexander
Journal of Physical Chemistry Letters 3, 3448 (2012).
DOI:10.1021/jz301486u
URL:http://www.physto.se/~odelius/publications.html

Ab Initio Calculations of X-ray Spectra : Atomic Multiplet and Molecular Orbital Effects in a Multiconfigurational SCF Approach to the L-Edge Spectra of Transition Metal Complexes
Josefsson, Ida; Kunnus, Kristjan; Schreck, Simon; Föhlisch, Alexander; de Groot, Frank; Wernet, Philippe; Odelius, Michael
Journal of Physical Chemistry Letters 3, 3565 (2012).
DOI:10.1021/jz301479j
URL:http://www.physto.se/~odelius/publications.html

Ultrafast Proton Dynamics in Aqueous Amino Acid Solutions Studied by Resonant Inelastic Soft X-ray Scattering
Blum, M.; Odelius, Michael; Weinhardt, L.; Pookpanratana, S.; Baer, M.; Zhang, Y.; Fuchs, O.; Yang, W.; Umbach, E.; Heske, C.
Journal of Physical Chemistry B 116, 13757 (2012).
DOI:10.1021/jp302958j
URL:http://www.physto.se/~odelius/publications.html

The effect of temperature and velocity on superlubricity
van den Ende, Joost A.; de Wijn, Astrid S.; Fasolino, Annalisa
Journal of Physics 24, 445009 (2012).
DOI:10.1088/0953-8984/24/44/445009

Nanoflow electrospinning serial femtosecond crystallography
Sierra, Raymond G.; Laksmono, Hartawan; Kern, Jan; Tran, Rosalie; Hattne, Johan; Alonso-Mori, Roberto; Lassalle-Kaiser, Benedikt; Gloeckner, Carina; Hellmich, Julia; Schafer, Donald W.; Echols, Nathaniel; Gildea, Richard J.; Grosse-Kunstleve, Ralf W.; Sellberg, Jonas; McQueen, Trevor A.; Fry, Alan R.; Messerschmidt, Marc M.; Miahnahri, Alan; Seibert, M. Marvin; Hampton, Christina Y.; Starodub, Dmitri; Loh, N. Duane; Sokaras, Dimosthenis; Weng, Tsu-Chien; Zwart, Petrus H.; Glatzel, Pieter; Milathianaki, Despina; White, William E.; Adams, Paul D.; Williams, Garth J.; Boutet, Sebastien; Zouni, Athina; Messinger, Johannes; Sauter, Nicholas K.; Bergmann, Uwe; Yano, Junko; Yachandra, Vittal K.; Bogan, Michael J.
Acta Crystallographica Section D 68, 1584 (2012).
DOI:10.1107/S0907444912038152

DISSOCIATIVE RECOMBINATION OF VIBRATIONALLY COLD CH+3 AND INTERSTELLAR IMPLICATIONS
Thomas, Richard; Kashperka, I.; Vigren, Erik; Geppert, Wolf D.; Hamberg, M.; Larsson, Mats; af Ugglas, Magnus; Zhaunerchyk, Vitali; Indriolo, N.; Yagi, K.; Hirata, S.; McCall, B. J.
Astrophysical Journal 758, 55 (2012).
DOI:10.1088/0004-637X/758/1/55

Homonuclear site-specific photochemistry by an ion-electron multi-coincidence spectroscopy technique
Eland, J. H. D.; Linusson, Per; Mucke, M.; Feifel, R.
Chemical Physics Letters 548, 90 (2012).
DOI:10.1016/j.cplett.2012.08.018

Reassessment of the dissociative recombination of n2h+ at cryring
Vigren, Erik; Zhaunerchyk, Vitali; Hamberg, M.; Kaminska, M.; Semaniak, J.; af Ugglas, Magnus; Larsson, Mats; Thomas, Richard; Geppert, Wolf D.
Astrophysical Journal 757, 34 (2012).
DOI:10.1088/0004-637X/757/1/34

Connecting Dopant Bond Type with Electronic Structure in N-Doped Graphene
Schiros, Theanne; Nordlund, Dennis; Palova, Lucia; Prezzi, Deborah; Zhao, Liuyan; Kim, Keun Soo; Wurstbauer, Ulrich; Gutierrez, Christopher; Delongchamp, Dean; Jaye, Cherno; Fischer, Daniel; Ogasawara, Hirohito; Pettersson, Lars G. M.; Reichman, David R.; Kim, Philip; Hybertsen, Mark S.; Pasupathy, Abhay N.
Nano letters (Print) 12, 4025 (2012).
DOI:10.1021/nl301409h

(In)commensurability, scaling, and multiplicity of friction in nanocrystals and application to gold nanocrystals on graphite
de Wijn, Astrid S.
Physical Review B. Condensed Matter and Materials Physics 86, 085429 (2012).
DOI:10.1103/PhysRevB.86.085429

Influence of double Auger decay on low-energy 3d photoelectrons of krypton
Sheinerman, S.; Linusson, Per; Eland, J. H. D.; Hedin, L.; Andersson, E.; Rubensson, J-E; Karlsson, L.; Feifel, R.
Physical Review A. Atomic, Molecular, and Optical Physics 86, 022515 (2012).
DOI:10.1103/PhysRevA.86.022515

Largest Lyapunov Exponents for Lattices of Interacting Classical Spins
de Wijn, Astrid S.; Hess, B.; Fine, B. V.
Physical Review Letters 109, 034101 (2012).
DOI:10.1103/PhysRevLett.109.034101

Adsorption and Cyclotrimerization Kinetics of C2H2 at a Cu(110) Surface
Öberg, Henrik; Nestsiarenka, Yuliya; Matsuda, A.; Gladh, Jörgen; Hansson, Tony; Pettersson, Lars G.M. ; Öström, Henrik
The Journal of Physical Chemistry C 116, 9550 (2012).
DOI:10.1021/jp300514f

Room temperature femtosecond X-ray diffraction of photosystem II microcrystals
Kern, Jan; Alonso-Mori, Roberto; Hellmich, Julia; Tran, Rosalie; Hattne, Johan; Laksmono, Hartawan; Gloeckner, Carina; Echols, Nathaniel; Sierra, Raymond G.; Sellberg, Jonas; Lassalle-Kaiser, Benedikt; Gildea, Richard J.; Glatzel, Pieter; Grosse-Kunstleve, Ralf W.; Latimer, Matthew J.; McQueen, Trevor A.; DiFiore, Doerte; Fry, Alan R.; Messerschmidt, Marc; Miahnahri, Alan; Schafer, Donald W.; Seibert, M. Marvin; Sokaras, Dimosthenis; Weng, Tsu-Chien; Zwart, Petrus H.; White, William E.; Adams, Paul D.; Bogan, Michael J.; Boutet, Sebastien; Williams, Garth J.; Messinger, Johannes; Sauter, Nicholas K.; Zouni, Athina; Bergmann, Uwe; Yano, Junko; Yachandra, Vittal K.
Proceedings of the National Academy of Sciences of the United States of America 109, 9721 (2012).
DOI:10.1073/pnas.1204598109

Ion chemistry in space
Larsson, Mats; Geppert, Wolf. D.; Nyman, G.
Reports on progress in physics (Print) 75, 066901 (2012).
DOI:10.1088/0034-4885/75/6/066901

Bonding and Desorption Mechanismsof CO on Metal Surfaces
Gladh, Jörgen
Licentiate thesis (2012).

Symmetry breaking in core-valence double photoionization of SO2
Niskanen, J.; Andersson, E.; Eland, J. H. D.; Linusson, Per; Hedin, L.; Karlsson, L.; Feifel, R.; Vahtras, O.
Physical Review A. Atomic, Molecular, and Optical Physics 85, 023408 (2012).
DOI:10.1103/PhysRevA.85.023408

Versatile high-repetition-rate phase-locked chopper system for fast timing experiments in the vacuum ultraviolet and x-ray spectral region
Plogmaker, Stefan; Linusson, Per; Eland, John H. D.; Baker, Neville; Johansson, Erik M. J.; Rensmo, Håkan; Feifel, Raimund; Siegbahn, Hans
Review of Scientific Instruments 83, 013115 (2012).
DOI:10.1063/1.3677329

Dissociative recombination of nitrile ions with implications for Titan's upper atmosphere
Vigren, Erik; Semaniak, J.; Hamberg, M.; Zhaunerchyk, V.; Kaminska, M.; Thomas, Richard D.; af Ugglas, Magnus; Larsson, Mats; Geppert, Wolf D.
Planetary and Space Science 60, 102 (2012).
DOI:10.1016/j.pss.2011.03.001

Formation of Kr3+ via core-valence doubly ionized intermediate states
Andersson, E.; Linusson, Per; Fritzsche, S.; Hedin, L.; Eland, J. H. D.; Karlsson, L.; Rubensson, J. -E; Feifel, R.
Physical Review A. Atomic, Molecular, and Optical Physics 85, 032502 (2012).
DOI:10.1103/PhysRevA.85.032502

A KINETIC DATABASE FOR ASTROCHEMISTRY (KIDA)
Wakelam, V.; Herbst, E.; Loison, J. -C; Smith, I. W. M.; Chandrasekaran, V.; Pavone, B.; Adams, N. G.; Bacchus-Montabonel, M. -C; Bergeat, A.; Beroff, K.; Bierbaum, V. M.; Chabot, M.; Dalgarno, A.; van Dishoeck, E. F.; Faure, A.; Geppert, Wolf D.; Gerlich, D.; Galli, D.; Hebrard, E.; Hersant, F.; Hickson, K. M.; Honvault, P.; Klippenstein, S. J.; Le Picard, S.; Nyman, G.; Pernot, P.; Schlemmer, S.; Selsis, F.; Sims, I. R.; Talbi, D.; Tennyson, J.; Troe, J.; Wester, R.; Wiesenfeld, L.
Astrophysical Journal Supplement Series 199, 21 (2012).
DOI:10.1088/0067-0049/199/1/21

Polarization dependent resonant x-ray emission spectroscopy of D2O and H2O water : Assignment of the local molecular orbital symmetry
Tokushima, Takashi; Horikawa, Yuka; Arai, Hidemi; Harada, Yoshihisa; Takahashi, Osamu; Pettersson, Lars G.M. ; Nilsson, Anders; Shin, Shik
Journal of Chemical Physics 136, 044517 (2012).
DOI:10.1063/1.3678443

X-ray emission spectroscopy and density functional study of CO/Fe(100)
Gladh, Jörgen; Öberg, Henrik; Li, Jibiao; Ljungberg, M. P.; Matsuda, A.; Ogasawara, H.; Nilsson, Anders; Pettersson, Lars G.M. ; Öström, H.
Journal of Chemical Physics 136, 034702 (2012).
DOI:10.1063/1.3675834

Analytic structure and power series expansion of the Jost function for the two-dimensional problem
Rakityansky, S. A.; Elander, Nils
Journal of Physics A 45, 135209 (2012).
DOI:10.1088/1751-8113/45/13/135209

Role of the direct mechanism in dissociative recombination of HCO+ and HOC+
Larson, Åsa; Stenrup, Mikael; Orel, A. E.
Physical Review A. Atomic, Molecular, and Optical Physics 85, 042702 (2012).
DOI:10.1103/PhysRevA.85.042702

Experimental Verification of the Chemical Sensitivity of Two-Site Double Core-Hole States Formed by an X-Ray Free-Electron Laser
Sahlén, Martin; van der Meulen, Peter; Schmidt, Henning; Thomas, Richard; Larsson, Mats; Feifel, Raimund; Piancastelli, M. N.; Fang, L.; Murphy, B.; Osipov, T.; Berrah, N.; Kukk, E.; Ueda, K.; Bozek, J. D.; Bostedt, C.; Wada, S.; Richter, R.; Feyer, V.; Prince, K. C.
Physical Review Letters 108, 153003 (2012).
DOI:10.1103/PhysRevLett.108.153003

The FERRUM project : metastable lifetimes in Cr II
Bäckström, Erik; Gurell, J.; Royen, Peder; Mannervik, Sven; Norlin, L.; Blackwell-Whitehead, R.; Hartman, H.; Nilsson, H.
Monthly notices of the Royal Astronomical Society 420, 1636 (2012).
DOI:10.1111/j.1365-2966.2011.20152.x

Microscopic Probing of the Size Dependence in Hydrophobic Solvation
Huang, Ningdong; Nordlund, Dennis; Huang, Congcong; Tyliszczak, Tolek; Weiss, Thomas M.; Acremann, Yves; Pettersson, Lars G.M. ; Nilsson, Anders; Schlesinger, Daniel
Journal of Chemical Physics 136, 074507 (2012).
DOI:10.1063/1.3684893

Wide-angle X-ray diffraction and molecular dynamics study of medium-range order in ambient and hot water
Huang, Congcong; Wikfeldt, Thor Kjartan; Nordlund, D.; Bergmann, U.; McQueen, T.; Sellberg, Jonas; Pettersson, Lars G.M. ; Nilsson, Anders
Physical Chemistry, Chemical Physics - PCCP 13, 19997 (2011).
DOI:10.1039/c1cp22804h

A comparison between artificial and natural water oxidation
Li, Xichen ; Chen, Guangju; Schinzel, Sandra; Siegbahn, Per E. M.
Dalton Transactions 40, 11296 (2011).
DOI:10.1039/c1dt11323b

Spatially inhomogeneous bimodal inherent structure of simulated liquid water
Wikfeldt, Thor Kjartan; Nilsson, Anders; Pettersson, Lars G.M.
Physical Chemistry, Chemical Physics - PCCP 13, 19918 (2011).
DOI:10.1039/c1cp22076d

X-ray Raman scattering provides evidence for interfacial acetonitrile-water dipole interactions in aqueous solutions
Huang, Ningdong; Nordlund, Dennis; Huang, Congcong; Bergmann, Uwe; Weiss, Thomas M.; Pettersson, Lars G.M. ; Nilsson, Anders
Journal of Chemical Physics 135, 164509 (2011).
DOI:10.1063/1.3655468

Perspective on the structure of liquid water
Nilsson, Anders; Pettersson, Lars G.M.
Chemical Physics 389, 1 (2011).
DOI:10.1016/j.chemphys.2011.07.021

Theoretical study of dissociative recombination of Cl(2)(+)
Zhang, Mingwu; Cai, Xiaohong; Larson, Åsa; Orel, Ann E.
Physical Review A. Atomic, Molecular, and Optical Physics 84, 052707 (2011).
DOI:10.1103/PhysRevA.84.052707

Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like
Mogelhoj, Andreas; Kelkkanen, Andre K.; Wikfedt, K. Thor; Schiotz, Jakob; Mortensen, Jens Jorgen; Pettersson, Lars G.M. ; Lundqvist, Bengt I.; Jacobsen, Karsten W.; Nilsson, Anders; Norskov, Jens K.
Journal of Physical Chemistry B 115, 14149 (2011).
DOI:10.1021/jp2040345

Oxidation of Pt(111) under Near-Ambient Conditions
Miller, D. J.; Öberg, Henrik; Kaya, S.; Casalongue, H. Sanchez; Friebel, D.; Anniyev, T.; Ogasawara, H.; Bluhm, H.; Pettersson, Lars G.M. ; Nilsson, Anders
Physical Review Letters 107, 195502 (2011).
DOI:10.1103/PhysRevLett.107.195502

ABSOLUTE PHOTODETACHMENT CROSS-SECTION MEASUREMENTS FOR HYDROCARBON CHAIN ANIONS
Best, T.; Otto, R.; Trippel, S.; Hlavenka, P.; von Zastrow, A.; Eisenbach, S.; Jezouin, S.; Wester, R.; Vigren, Erik; Hamberg, M.; Geppert, Wolf D.
Astrophysical Journal 742, 63 (2011).
DOI:10.1088/0004-637X/742/2/63

Triple ionization of CO(2) by valence and inner shell photoionization
Eland, J. H. D.; Andric, L.; Linusson, Per; Hedin, L.; Plogmaker, S.; Palaudoux, J.; Penent, F.; Lablanquie, P.; Feifel, R.
Journal of Chemical Physics 135, 134309 (2011).
DOI:10.1063/1.3643121

Evidence for Fe(2+) in Wurtzite Coordination : Iron Doping Stabilizes ZnO Nanoparticles
Xiao, Jianping; Kuc, Agnieszka; Pokhrel, Suman; Schowalter, Marco; Parlapalli, Satyam; Rosenauer, Andreas; Frauenheim, Thomas; Maedler, Lutz; Pettersson, Lars G. M.; Heine, Thomas
SMALL 7, 2879 (2011).
DOI:10.1002/smll.201100963

Double-core-hole spectroscopy for chemical analysis with an intense X-ray femtosecond laser
Berrah, Nora; Fang, Li; Murphy, Brendan; Osipov, Timur; Ueda, Kiyoshi; Kukk, Edwin; Feifel, Raimund; van der Meulen, Peter; Salén, Peter; Schmidt, Henning T.; Thomas, Richard D.; Larsson, Mats; Richter, Robert; Prince, Kevin C.; Bozek, John D.; Bostedt, Christoph; Wada, Shin-ichi; Piancastelli, Maria N.; Tashiro, Motomichi; Ehara, Masahiro
Proceedings of the National Academy of Sciences of the United States of America 108, 16912 (2011).
DOI:10.1073/pnas.1111380108

Multi-channel analog of the effective-range expansion
Rakityansky, S. A.; Elander, Nils
Journal of Physics A 44, 115303 (2011).
DOI:10.1088/1751-8113/44/11/115303

Potential splitting approach to multichannel Coulomb scattering : The driven Schrodinger equation formulation
Volkov, Mikhail V.; Yakovlev, S. L.; Yarevsky, E. A.; Elander, Nils
Physical Review A. Atomic, Molecular, and Optical Physics 83, 032722 (2011).
DOI:10.1103/PhysRevA.83.032722

Cations Strongly Reduce Electron-Hopping Rates in Aqueous Solutions
Ottosson, Niklas; Odelius, Michael; Spångberg, Daniel; Pokapanich, Wandared; Svanqvist, Mattias; Ohrwall, Gunnar; Winter, Bernd; Björneholm, Olle
Journal of the American Chemical Society 133, 13489 (2011).
DOI:10.1021/ja204100j

Double ionization of atomic cadmium
Linusson, Per; Fritzsche, S.; Eland, J. H. D.; Hedin, L.; Karlsson, L.; Feifel, R.
Physical Review A. Atomic, Molecular, and Optical Physics 83, 023424 (2011).
DOI:10.1103/PhysRevA.83.023424

Enhanced small-angle scattering connected to the Widom line in simulations of supercooled water
Wikfeldt, Thor Kjartan; Huang, C.; Nilsson, Anders; Pettersson, Lars G. M.
Journal of Chemical Physics 134, 214506 (2011).
DOI:10.1063/1.3594545

The double electrostatic ion ring experiment : A unique cryogenic electrostatic storage ring for merged ion-beams studies
Thomas, Richard D.; Schmidt, Henning T.; Andler, Guillermo; Björkhage, Mikael; Blom, Mikael; Brännholm, Lars; Bäckstrom, Erik; Danared, Håkan; Das, Susanta; Haag, Nicole; Halldén, Per; Hellberg, Fredrik; Holm, Anne I. S.; Johansson, H. A. B.; Källberg, Anders; Källersjö, Gunnar; Larsson, Mats; Leontein, Sven; Liljeby, Leif; Löfgren, Patrik; Malm, Bo; Mannervik, Sven; Masuda, Masaharu; Misra, Deepankar; Orban, A.; Paál, Andras; Reinhed, Peter; Rensfelt, Karl-Gunnar; Rosén, Stefan; Schmidt, K.; Seitz, Fabian; Simonsson, Ansgar; Weimer, Jan; Zettergren, Henning; Cederquist, Henrik
Review of Scientific Instruments 82, 065112 (2011).
DOI:10.1063/1.3602928

Structure sensitivity of double inner-shell holes in sulfur-containing molecules
Linusson, Per; Takahashi, O.; Ueda, K.; Eland, J. H. D.; Feifel, R.
Physical Review A. Atomic, Molecular, and Optical Physics 83, 022506 (2011).
DOI:10.1103/PhysRevA.83.022506

A computational study of radiationless deactivation mechanisms of furan
Stenrup, Michael ; Larson, Åsa
Chemical Physics 379, 6 (2011).
DOI:10.1016/j.chemphys.2010.10.002

Single and multiple photoionisation of H(2)S by 40-250 eV photons
Eland, J. H. D.; Fink, R. F.; Linusson, Per; Hedin, L.; Plogmaker, S.; Feifel, Raimund
Physical Chemistry, Chemical Physics - PCCP 13, 18428 (2011).
DOI:10.1039/c1cp21654f

Observational tests of interstellar methanol formation
Wirström, E. S.; Geppert, Wolf D.; Hjalmarson, A.; Persson, C. M.; Black, J. H.; Bergman, P.; Millar, T. J.; Hamberg, Mathias; Vigren, Erik
Astronomy and Astrophysics 533, A24 (2011).
DOI:10.1051/0004-6361/201116525

Electron-impact dissociative excitation and ionization of N(2)D(+)
Fogle, M.; Bahati, E. M.; Bannister, M. E.; Deng, S. H. M.; Vane, C. R.; Thomas, Richard D.; Zhaunerchyk, Vitali
Physical Review A. Atomic, Molecular, and Optical Physics 84, 032714 (2011).
DOI:10.1103/PhysRevA.84.032714

Mutual neutralization in low-energy H(+) + F(-) collisions
Mezei, J. Z.; Roos, Johanna Brinne; Shilyaeva, K.; Elander, Nils; Larson, Åsa
Physical Review A. Atomic, Molecular, and Optical Physics 84, 012703 (2011).
DOI:10.1103/PhysRevA.84.012703

Intramolecular soft modes and intermolecular interactions in liquid acetone
Sun, Y. -P; Hennies, F.; Pietzsch, A.; Kennedy, B.; Schmitt, T.; Strocov, V.; Andersson, J.; Berglund, M.; Rubensson, J. -E; Aidas, K.; Gel’mukhanov, F.; Odelius, Mikael; Föhlisch, A.
Physical Review B Condensed Matter 84, 132202 (2011).
DOI:10.1103/PhysRevB.84.132202
URL:http://www.physto.se/~odelius/publications.html

H-bond switching and ligand exchange dynamics in aqueous ionic solution
Gaffney, K. J.; Ji, M.; Odelius, Michael; Park, S.; Sun, Z.
Chemical Physics Letters 504, 1 (2011).
DOI:10.1016/j.cplett.2011.01.063
URL:http://www.physto.se/~odelius/publications.html

Vibrational interference effects in x-ray emission of a model water dimer: implications for the interpretation of the liquid spectrum
Ljungberg, Mathias P.; Pettersson, Lars G.M.; Nilsson, Anders
Journal of Chemical Physics 134, 044513 (2011).
DOI:10.1063/1.3533956

The structure of water in the hydration shell of cations from x-ray Raman and small angle x-ray scattering measurements
Waluyo, Iradwikanari; Huang, Congcong; Nordlund, Dennis; Bergmann, Uwe; Weiss, Thomas M.; Pettersson, Lars G. M.; Nilsson, Anders
Journal of Chemical Physics 134, 064513 (2011).
DOI:10.1063/1.3533958

Mapping the frontier electronic structures of triphenylamine based organic dyes at TiO2 Interafaces
Hahlin, Maria; Odelius, Michael; Magnuson, Martin; Johansson, Erik M. J.; Plogmaker, Stefan; Hagberg, Daniel P.; Sun, Licheng; Siegbahn, Hans; Rensmo, Håkan
Physical Chemistry, Chemical Physics - PCCP 13, 3534 (2011).
DOI:10.1039/c0cp01491e

In situ x-ray probing reveals the importance of surface platinum oxide formation in fuel cell catalysis
Friebel, Daniel; Miller, Daniel J.; O'Grady, Christopher P.; Anniyev, Toyli; Bargar, John; Bergmann, Uwe; Ogasawara, Hirohito; Wikfeldt, Kjartan Thor; Pettersson, Lars G. M.; Nilsson, Anders
Physical Chemistry, Chemical Physics - PCCP 13, 262 (2011).
DOI:10.1039/c0cp01434f

Hot Water from Cold. The Dissociative Recombination of Water Cluster Ions
Thomas, R. D.; Zhaunerchyk, Vitali; Hellberg, Fredrik; Ehlerding, Anneli; Geppert, Wolf D.; Bahati, E.; Bannister, M. E.; Fogle, M. R.; Vane, C. R.; Petrignani, A.; Andersson, P. U.; Ojekull, J.; Pettersson, J. B. C.; van der Zande, W. J.; Larsson, M.
Journal of Physical Chemistry A 114, 4843 (2010).
DOI:10.1021/jp9095979

Reaction Networks for Interstellar Chemical Modelling : Improvements and Challenges
Wakelam, V.; Smith, I. W. M.; Herbst, E.; Troe, J.; Geppert, Wolf D.; Linnartz, H.; Oeberg, K.; Roueff, E.; Agundez, M.; Pernot, P.; Cuppen, H. M.; Loison, J. C.; Talbi, D.
Space Science Reviews 156, 13 (2010).
DOI:10.1007/s11214-010-9712-5

The impact of sharp screening on the Coulomb scattering problem in three dimensions
Yakovlev, S. L.; Volkov, Mikhail V.; Yarevsky, E.; Elander, Nils
Journal of Physics A 43, 245302 (2010).
DOI:10.1088/1751-8113/43/24/245302

Triple ionisation of methane by double Auger and related pathways
Eland, J. H. D.; Linusson, Per; Hedin, L.; Andersson, E.; Rubensson, J-E; Feifel, R.
Chemical Physics Letters 485, 21 (2010).
DOI:10.1016/j.cplett.2009.11.072

Triple ionization spectra by coincidence measurements of double Auger decay : The case of OCS
Eland, J. H. D.; Hochlaf, M.; Linusson, Per; Andersson, E.; Hedin, L.; Feifel, R.
Journal of Chemical Physics 132, 14311 (2010).
DOI:10.1063/1.3274648

Multielectron coincidence study of the double Auger decay of 3d-ionized krypton
Andersson, E.; Fritzsche, S.; Linusson, Per; Hedin, L.; Eland, J. H. D.; Rubensson, J. -E; Karlsson, L.; Feifel, R.
Physical Review A. Atomic, Molecular, and Optical Physics 82, 043418 (2010).
DOI:10.1103/PhysRevA.82.043418

Electron-impact dissociation of XH2+ (X = B, C, N, O, F) : Absolute cross sections for production of XH+ and X+ fragment ions
Fogle, M.; Bahati, E. M.; Bannister, M. E.; Deng, S. H. M.; Vane, C. R.; Thomas, Richard D.; Zhaunerchyk, Vitali
Physical Review A. Atomic, Molecular, and Optical Physics 82, 042720 (2010).
DOI:10.1103/PhysRevA.82.042720

Experimental and theoretical study of core-valence double photoionization of OCS
Niskanen, J.; Carravetta, V.; Vahtras, O.; Agren, H.; Aksela, H.; Andersson, E.; Hedin, L.; Linusson, Per; Eland, J. H. D.; Karlsson, L.; Rubensson, J. -E; Feifel, R.
Physical Review A. Atomic, Molecular, and Optical Physics 82, 043436 (2010).
DOI:10.1103/PhysRevA.82.043436

High-resolution storage-ring measurements of the dissociative recombination of H-3(+) using a supersonic expansion ion source
Kreckel, Holger; Novotny, Oldrich; Crabtree, Kyle N.; Buhr, Henrik; Petrignani, Annemieke; Tom, Brian A.; Thomas, Richard D.; Berg, Max H.; Bing, Dennis; Grieser, Manfred; Krantz, Claude; Lestinsky, Michael; Mendes, Mario B.; Nordhorn, Christian; Repnow, Roland; Stuetzel, Julia; Wolf, Andreas; McCall, Benjamin J.
Physical Review A. Atomic, Molecular, and Optical Physics 82, 042715 (2010).
DOI:10.1103/PhysRevA.82.042715

Double Core Hole Creation and Subsequent Auger Decay in NH3 and CH4 Molecules
Eland, J. H. D.; Tashiro, M.; Linusson, Per; Ehara, M.; Ueda, K.; Feifel, R.
Physical Review Letters 105, 213005 (2010).
DOI:10.1103/PhysRevLett.105.213005

Double charge transfer in low-energy H+ + H- collisions
Mezei, Zsolt; Stenrup, Michael; Elander, Nils; Larson, Åsa
Physical Review A. Atomic, Molecular, and Optical Physics 82, 14701 (2010).
DOI:10.1103/PhysRevA.82.014701

Size dependence of second-harmonic generation at the surface of microspheres
Viarbitskaya, Sviatlana; Kapshai, Valery; van der Meulen, Peter; Hansson, Tony
Physical Review A. Atomic, Molecular, and Optical Physics 81, 53850 (2010).
DOI:10.1103/PhysRevA.81.053850

Strong-field photoionization of O-2 at intermediate light intensity
Kloda, Tomasz; Matsuda, Akitaka; Karlsson, Hans O.; Elshakre, Mohamed; Linusson, Per; Eland, John H. D.; Feifel, Raimund; Hansson, Tony
Physical Review A. Atomic, Molecular, and Optical Physics 82, 33431 (2010).
DOI:10.1103/PhysRevA.82.033431

Sulfur-Metal Orbital Hybridization in Sulfur-Bearing Compounds Studied by X-ray Emission Spectroscopy
Mori, R. Alonso; Paris, E.; Giuli, G.; Eeckhout, S. G.; Kavcic, M.; Zitnik, M.; Bucar, K.; Pettersson, Lars G. M.; Glatzel, P.
Inorganic Chemistry 49, 6468 (2010).
DOI:10.1021/ic100304z

High resolution X-ray emission spectroscopy of water and its assignment based on two structural motifs
Tokushima, Takashi; Harada, Yoshihisa; Horikawa, Yuka; Takahashi, Osamu; Senba, Yasunori; Ohashi, Haruhiko; Pettersson, Lars G. M.; Nilsson, Anders; Shin, Shik
Journal of Electron Spectroscopy and Related Phenomena 177, 192 (2010).
DOI:10.1016/j.elspec.2010.02.008

Core-valence double photoionization of the CS2 molecule
Andersson, E.; Niskanen, J.; Hedin, L.; Eland, J. H. D.; Linusson, Per; Karlsson, L.; Rubensson, J. -E; Carravetta, V.; Agren, H.; Feifel, R.
Journal of Chemical Physics 133, 94305 (2010).
DOI:10.1063/1.3469812

Complementarity between high-energy photoelectron and L-edge spectroscopy for probing the electronic structure of 5d transition metal catalysts
Anniyev, Toyli; Ogasawara, Hirohito; Ljungberg, Mathias; Wikfeldt, Kjartan T.; MacNaughton, Janay B.; Näslund, Lars-Åke; Bergmann, Uwe; Koh, Shirlaine; Strasser, Peter; Pettersson, Lars G. M.; Nilsson, Anders
Physical Chemistry, Chemical Physics - PCCP 12, 5694 (2010).
DOI:10.1039/b926414k

Charge Transfer in Uranyl(VI) Halides [UO2X4]2− (X = F, Cl, Br, and I). A Quantum Chemical Study of the Absorption Spectra
Ruiperez, Fernando; Wahlgren, Ulf
Journal of Physical Chemistry A 114, 3615 (2010).
DOI:10.1021/jp911271q

Water Adsorption on α-Fe2O3(0001) at near Ambient Conditions
Yamamoto, Susumu; Kendelewicz, Tom; Newberg, John T.; Ketteler, Guido; Starr, David E.; Mysak, Erin R.; Andersson, Klas J.; Ogasawara, Hirohito; Bluhm, Hendrik; Salmeron, Miquel; Brown, Gordon E., Jr.; Nilsson, Anders
The Journal of Physical Chemistry C 114, 2256 (2010).
DOI:10.1021/jp909876t

X-ray absorption spectroscopy and X-ray Raman scattering of water and ice; an experimental view
Nilsson, Anders; Nordlund, D.; Waluyo, I.; Huang, N.; Ogasawara, H.; Kaya, S.; Bergmann, U.; Naeslund, L. -A; Öström, Henrik; Wernet, Ph.; Andersson, K. J.; Schiros, Theanne; Pettersson, Lars G. M.
Journal of Electron Spectroscopy and Related Phenomena 177, 99 (2010).
DOI:10.1016/j.elspec.2010.02.005

Spectra of the triply charged ion CS23+ and selectivity in molecular Auger effects
Eland, J. H. D.; Rigby, C. F.; Andersson, E.; Palaudoux, J.; Andric, L.; Penent, F.; Linusson, Per; Hedin, L.; Karlsson, L.; Rubensson, J. -E; Hikosaka, Y.; Ito, K.; Lablanquie, P.; Feifel, R.
Journal of Chemical Physics 132, 104311 (2010).
DOI:10.1063/1.3352549

Formation of Highly Rovibrationally Excited Ammonia from Dissociative Recombination of NH4+
Andersson, Patrik U.; Ojekull, Jenny; Pettersson, Jan B. C.; Markovic, Nikola; Hellberg, Fredrik; Thomas, Richard D.; Ehlerding, Anneli; Österdahl, Fabian; Zhaunerchyk, Vitali; Geppert, Wolf D.; af Ugglas, Magnus; Larsson, Mats; Uggerud, Einar; Danared, Hakan; Kallberg, Anders
The journal of physical chemistry letters 1, 2519 (2010).
DOI:10.1021/jz100828u

Semi-classical description of nuclear dynamics in x-ray emission of water
Ljungberg, Mathias P.; Nilsson, Anders ; Pettersson, Lars G.M.
Physical Review B Condensed Matter 82, 245115 (2010).
DOI:10.1103/PhysRevB.82.245115

Low O2 Dissociation Barrier on Pt(111) due to Adsorbate-Adsorbate Interactions
Miller, Daniel J.; Öberg, Henrik ; Näslund, Lars-Åke; Anniyev, Toyli; Ogasawara, Hirohito; Pettersson, Lars G.M. ; Nilsson, Anders
Journal of Chemical Physics 133, ? (2010).
DOI:10.1063/1.3512618

Hydrogen bond exchange in aqueous solution
Odelius, Michael
NSC News ?, 3 (2010).
URL:http://www.nsc.liu.se/files/newsletters/nscnews-2-2010.pdf

Spin-Orbit Coupling and Metal-Ligand Interactions in Fe(II), Ru(II), and Os(II) Complexes
Johansson, Erik M. J.; Odelius, Michael; Plogmaker, Stefan; Gorgoi, Mihaela; Svensson, Svante; Siegbahn, Hans; Rensmo, Håkan
The Journal of Physical Chemistry C 114, 10314 (2010).
DOI:10.1021/jp103884c
URL:http://pubs.acs.org/doi/abs/10.1021/jp103884c

Photoemission core-level shifts reveal the thiolate-Au(111) interface
Grönbeck, Henrik; Odelius, Michael
Physical Review B. Condensed Matter and Materials Physics 82, 085416 (2010).
DOI:10.1103/PhysRevB.82.085416
URL:http://www.physto.se/~odelius/publications.html

Increasing correlation length in bulk supercooled H2O, D2O and NaCl solution determined from small angle x-ray scattering
Huang, Congcong; Weiss, T. M.; Nordlund, Dennis; Wikfeldt, Kjartan Thor ; Pettersson, Lars G. M. ; Nilsson, Anders
Journal of Chemical Physics 133, 134504 (2010).
DOI:10.1063/1.3495974

Functional groups and sulfur K-edge XANES spectra : study of sulfides and disulfides
Mijovilovich, Ana; Pettersson, Lars G.M.; de Groot, Frank M.F.; Weckhuysen, Bert M.
Journal of Physical Chemistry A 114, 9523 (2010).
DOI:10.1021/jp103109y

Sulfur-Metal Orbital Hybridization in Sulfur-Bearing Compounds Studied by X-ray Emission Spectroscopy
Alonso Mori, Roberto; Paris, E.; Giuli, G.; Eeckhout, S.G.; Kavčič, M.; Žitnik, M.; Bučar, K.; Pettersson, Lars G.M. ; Glatzel, Pieter
Inorganic Chemistry 49, 6468 (2010).
DOI:10.1021/ic100304z

Electronic and molecular structures of organic dye/TiO(2) interfaces for solar cell applications : a core level photoelectron spectroscopy study.
Hahlin, Maria; Johansson, Erik M J; Plogmaker, Stefan; Odelius, Michael ; Hagberg, Daniel P; Sun, Licheng; Siegbahn, Hans; Rensmo, Håkan
Physical Chemistry, Chemical Physics - PCCP 12, 1507 (2010).
DOI:10.1039/b913548k
URL:http://www.physto.se/~odelius/publications.html

Large angular jump mechanism observed for hydrogen bond exchange in aqueous perchlorate solution.
Ji, Minbiao; Odelius, Michael ; Gaffney, K J
Science (New York, N.Y.) 328, 1003 (2010).
DOI:10.1126/science.1187707
URL:http://www.physto.se/~odelius/publications.html

Cooperativity in Surface Bonding and Hydrogen Bonding of Water and Hydroxyl at Metal Surfaces
Schiros, Theanne; Ogasawara, Hirohito; Andersson, Klas J.; Ren, Jun; Meng, Sheng; Karlberg, Gustaf; Näslund, Lars-Åke; Odelius, Michael ; Nilsson, Anders ; Pettersson, Lars G.M.
The Journal of Physical Chemistry C 114, 10240 (2010).
DOI:10.1021/jp101855v

Chemical bonding of water to metal surfaces studied with core-level spectroscopies
Schiros, Theanne; Andersson, Klas J.; Pettersson, Lars G.M. ; Nilsson, Anders ; Ogasawara, Hirohito
Journal of Electron Spectroscopy and Related Phenomena 177, 85 (2010).
DOI:10.1016/j.elspec.2009.09.009

High resolution X-ray emission spectroscopy of water and its assignment based on two structural motifs
Tokushima, Takashi; Harada, Yoshihisa; Horikawa, Yuka; Takahashi, Osamu; Senba, Yasunori; Ohashi, Haruhiko; Pettersson, Lars G.M. ; Nilsson, Anders ; Shin, Shik
Journal of Electron Spectroscopy and Related Phenomena 177, 192 (2010).
DOI:10.1016/j.elspec.2010.02.008

X-ray Absorption Spectroscopy and X-ray Raman Scattering of Water : an Experimental View
Nilsson, Anders ; Nordlund, Dennis; Waluyo, Ira; Huang, Ningdong; Ogasawara, Hirohito; Kaya, Sarp; Bergmann, Uwe; Näslund, Lars-Åke; Öström, Henrik ; Wernet, Philippe; Andersson, Klas J.; Schiros, Theanne; Pettersson, Lars G.M.
Journal of Electron Spectroscopy and Related Phenomena 177, 99 (2010).
DOI:10.1016/j.elspec.2010.02.005

Reply to Soper ?Fluctuations in water around a bimodal distribution of local hydrogen bonded structural motifs?
Huang, Congcong; Wikfeldt, Kjartan Thor ; Tokushima, Takashi; Nordlund, Dennis; Harada, Yoshi; Bergmann, Uwe; Niebuhr, M.; Weiss, T.M.; Horikawa, Y.; Leetmaa, Mikael ; Ljungberg, Mathias P. ; Takahashi, Osamu; Lentz, Annika; Ojamäe, Lars; Lyubartsev, Alexander P.; Shin, Shik; Pettersson, Lars G.M. ; Nilsson, Anders
Proceedings of the National Academy of Sciences of the United States of America 107, E45 (2010).
DOI:10.1073/pnas.0913504107

The Role of Substrate Electrons in the Wetting of a Metal Surface
Schiros, Theanne; Takahashi, Osamu; Andersson, Klas J.; Öström, Henrik ; Pettersson, Lars G.M. ; Nilsson, Anders ; Ogasawara, Hirohito
Journal of Chemical Physics 132, 094701 (2010).
DOI:10.1063/1.3292681

SpecSwap-RMC : A novel reverse Monte Carlo approach using a discrete set of local configurations and pre-computed properties
Leetmaa, Mikael ; Wikfeldt, Kjartan Thor ; Pettersson, Lars G. M.
Journal of Physics 22, 135001 (2010).
DOI:10.1088/0953-8984/22/13/135001

Dissociative Recombination of Protonated Propionitrile, CH3CH2CNH+ : Implications for Titan's Upper Atmosphere
Vigren, Erik; Hamberg, Mathias; Zhaunerchyk, Vitali; Kaminska, Magdalena; Thomas, Richard D.; Trippel, Sebastian; Wester, Roland; Zhang, Mingwu; Kashperka, Iryna; af Ugglas, Magnus; Semaniak, Jacek; Larsson, Mats; Geppert, Wolf D.
Astrophysical Journal 722, 847 (2010).
DOI:10.1088/0004-637X/722/1/847

Dissociative Recombination of Protonated Formic Acid : Implications for Molecular Cloud and Cometary Chemistry
Vigren, Erik; Hamberg, Mathias; Zhaunerchyk, Vitali; Kaminska, Magdalena; Semaniak, Jacek; Larsson, Mats; Thomas, Richard D.; af Ugglas, Magnus; Kashperka, Iryna; Millar, T. J.; Walsh, Catherine; Roberts, Helen; Geppert, Wolf D.
Astrophysical Journal 709, 1429 (2010).
DOI:10.1088/0004-637X/709/2/1429

Dissociative recombination of the acetaldehyde cation, CH3CHO+
Vigren, Erik; Hamberg, Mathias; Zhaunerchyk, Vitali; Kaminska, Magdalena; Thomas, Richard D.; Trippel, Sebastian; Zhang, Mingwu; Kashperka, Iryna; af Ugglas, Magnus; Walsh, Catherine; Wester, Roland; Semaniak, Jacek; Larsson, Mats; Geppert, Wolf D.
Physical Chemistry, Chemical Physics - PCCP 12, 11670 (2010).
DOI:10.1039/c003857a

Experimental studies of the dissociative recombination processes for the dimethyl ether ions CD3OCD2+ and (CD3)2OD+
Hamberg, Mathias; Österdahl, Fabian; Thomas, Richard D.; Zhaunerchyk, Vitali; Vigren, Erik; Kaminska, Magdalena; af Ugglas, Magnus; Källberg, Anders; Simonsson, Ansgar; Paál, András; Larsson, Mats; Geppert, Wolf D.
Astronomy and Astrophysics 514, A83 (2010).
DOI:10.1051/0004-6361/200913891

Cryogenic keV ion-beam storage in ConeTrap - a tool for ion-temperature control
Reinhed, Peter; Orbán, Andrea; Rosén, Stefan; Thomas, Richard; Kashperka, Iryna; Johansson, Henrik; Misra, Deepankar; Fardi, Afshin; Brännholm, Lars; Björkhage, Mikael; Cederquist, Henrik; Schmidt, Henning
Nuclear Instruments and Methods in Physics Research Section A 621, 83 (2010).
DOI:10.1016/j.nima.2010.06.008
URL:http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-32659

Chemical Bonding on Metal Surfaces : Synergy between Theory and Experiment
Nilsson, Anders ; Pettersson, Lars G.M.
chapter in Model Systems in Catalysis :  From Single Crystals and Size-Selected Clusters to Supported Enzyme Mimics, Springer Verlag (2010).
DOI:10.1007/978-0-387-98049-2 12

Oxygen-oxygen correlations in liquid water : Addressing the discrepancy between diffraction and EXAFS using a novel multiple –data set fitting technique
Wikfeldt, Kjartan Thor; Leetmaa, Mikael; Mace, Amber; Nilsson, Anders; Pettersson, Lars G. M.
Journal of Chemical Physics 132, ? (2010).
DOI:10.1063/1.3330752

Theoretical Approximations to X-ray Absorption Spectroscopy of Liquid Water and Ice
Leetmaa, Mikael; Ljungberg, Mathias; Lyubartsev, Alexander; Nilsson, Anders; Pettersson, Lars G.M.
Journal of Electron Spectroscopy and Related Phenomena 177, 135 (2010).
DOI:10.1016/j.elspec.2010.02.004

Mutual neutralization in low-energy H+ + H- collisions : A quantum ab initio study
Stenrup, Michael; Larson, Åsa ; Elander, Nils
Physical Review A. Atomic, Molecular, and Optical Physics 79, 012713 (2009).
DOI:10.1103/PhysRevA.79.012713

Convergence and Quantum Number Assignment Studies of Rovibrational Eigenstates in a Model of Predissociating NeICI van der Waals Complex
Elander, Nils; Levin, Sergey B.; Yarevsky, Evgeny
International Journal of Quantum Chemistry 109, 459 (2009).
DOI:10.1002/qua.21829

Dissociative recombination of highly enriched para-H-3(+)
Tom, Brian A.; Zhaunerchyk, Vitali; Wiczer, Michael B.; Mills, Andrew A.; Crabtree, Kyle N.; Kaminska, Magdalena; Geppert, Wolf D.; Hamberg, Mathias; af Ugglas, Magnus; Vigren, Erik; van der Zande, Wim J.; Larsson, Mats; Thomas, Richard D.; McCall, Benjamin J.
Journal of Chemical Physics 130, 31101 (2009).
DOI:10.1063/1.3065970

Energetics of C-H Bonds Formed at Single-Walled Carbon Nanotubes
Nikitin, Anton; Zhang, Zhiyong; Nilsson, Anders
Nano letters (Print) 9, 1301 (2009).
DOI:10.1021/nl802727h

Molecular quantum wave-packet splitting and revivals in shared phase space
Wang, Dong; Larson, Åsa; Hansson, Tony; Karlsson, Hans O.
Physical Review A. Atomic, Molecular, and Optical Physics 79, 23402 (2009).
DOI:10.1103/PhysRevA.79.023402

NO2 Adsorption on Ag(100) Supported MgO(100) Thin Films : Controlling the Adsorption State with Film Thickness
Starr, David E.; Weis, Christoph; Yamamoto, Susumu; Nilsson, Anders; Bluhm, Hendrik
The Journal of Physical Chemistry C 113, 7355 (2009).
DOI:10.1021/jp900410v

Multiple Explosion Pathways of the Deuterated Benzene Trication in 9-fs Intense Laser Fields
Matsuda, Akitaka; Fushitani, Mizuho; Thomas, Richard D.; Zhaunerchyk, Vitali; Hishikawa, Akiyoshi
Journal of Physical Chemistry A 113, 2254 (2009).
DOI:10.1021/jp806466x

Sequential formation of the CH3+H+H channel in the dissociative recombination of CH5+
Zhaunerchyk, Vitali; Kaminska, Magdalena; Vigren, Erik; Hamberg, Mathias; Geppert, Wolf D.; Larsson, Mats; Thomas, Richard D.; Semaniak, Jacek
Physical Review A. Atomic, Molecular, and Optical Physics 79, 30701 (2009).
DOI:10.1103/PhysRevA.79.030701

Generalized effective-range expansion
Rakityansky, S. A.; Elander, Nils O
Journal of Physics A 42, 225302 (2009).
DOI:10.1088/1751-8113/42/22/225302

Electron-impact dissociation of CD3+ and CH3+ ions producing CD2+, CH+ and C+ fragment ions
Bahati, E. M.; Fogle, M.; Vane, C. R.; Bannister, M. E.; Thomas, R. D.; Zhaunerchyk, Vitali
Physical Review A. Atomic, Molecular, and Optical Physics 79, 52703 (2009).
DOI:10.1103/PhysRevA.79.052703

Probing the hydrogen-bond network of water via time-resolved soft X-ray spectroscopy
Huse, Nils; Wen, Haidan; Nordlund, Dennis; Szilagyi, Erzsi; Daranciang, Dan; Miller, Timothy A.; Nilsson, Anders; Schoenlein, Robert W.; Lindenberg, Aaron M.
Physical Chemistry, Chemical Physics - PCCP 11, 3951 (2009).
DOI:10.1039/b822210j

Investigation into the vibrational yield of OH products in the OH plus H plus H channel arising from the dissociative recombination of H3O+
Zhaunerchyk, Vitali; Geppert, Wolf D.; Rosen, Stefan; Vigren, Erik; Hamberg, Mathias; Kaminska, Magdalena; Kashperka, Iryna; af Ugglas, Magnus; Semaniak, Jacek; Larsson, Mats; Thomas, Richard D.
Journal of Chemical Physics 130, 214302 (2009).
DOI:10.1063/1.3141434

Dissociative recombination of BeH+
Roos, J. B.; Larsson, Mats; Larson, A.; Orel, A. E.
Physical Review A. Atomic, Molecular, and Optical Physics 80, 12501 (2009).
DOI:10.1103/PhysRevA.80.012501

Dissociative charge exchange dynamics of HN2+ and DN2+
Savee, John D.; Thomas, Richard D.; Mann, Jennifer E.; Continetti, Robert E.
Journal of Chemical Physics 131, 134301 (2009).
DOI:10.1063/1.3236803

Double photoionization of alcohol molecules
Linusson, Per; Stenrup, Michael; Larson, Åsa; Andersson, E.; Heijkenskjold, F.; Andersson, P.; Eland, J. H. D.; Karlsson, L.; Rubensson, J. -E; Feifel, R.
Physical Review A. Atomic, Molecular, and Optical Physics 80, 32516 (2009).
DOI:10.1103/PhysRevA.80.032516

Electronic resonant states of HCO and HOC
Larson, Åsa; Orel, A. E.
Physical Review A. Atomic, Molecular, and Optical Physics 80, 62504 (2009).
DOI:10.1103/PhysRevA.80.062504

Eigen Energies and the Statistical Distributions of the Rovibrational Levels of the Bosonic van der Waals Argon Trimer
Gagin, Anton; Yarevsky, Evgeny; Salci, Moses; Elander, Nils
Journal of Physical Chemistry A 113, 14979 (2009).
DOI:10.1021/jp905109c

Time-resolved study of the A(2)Pi state of CaH by laser spectroscopy
Liu, M.; Pauchard, T.; Sjodin, M.; Launila, O.; van der Meulen, Peter; Berg, L-E
Journal of Molecular Spectroscopy 257, 105 (2009).
DOI:10.1016/j.jms.2009.06.004

A photoelectron and double photoionization study of the valence electronic structure of 1,4-bromofluorobenzene
Elshakre, M.; Storchi, L.; Kloda, Tomasz; Linusson, Per; Heijkenskjold, F.; Gengelbach, A.; Karlsson, L.; Hansson, Tony; Tarantelli, F.; Feifel, R.
Journal of Chemical Physics 131, 184302 (2009).
DOI:10.1063/1.3257678

Quantum Scattering with the Driven Schrödinger Approachand Complex Scaling
Elander, Nils; Volkov, Mikhail; Larsson, Åsa; Stenrup, Michael; Mezei, J. Zsolt; Yarevsky, Evgeny; Yakolev, Sergey
Few-body systems 45, 197 (2009).
DOI:10.1007/s00601-009-0046-3

Solving the Coulomb scattering problem using the complex-scaling method
Volkov, Mikhail V.; Elander, Nils; Yarevsky, E.; Yakovlev, S. L.
Europhysics letters 85, 30001 (2009).
DOI:10.1209/0295-5075/85/30001

The Dissociative Recombination of Protonated Acrylonitrile, CH2CHCNH+, with implications for the Nitrile Chemistry in Dark Molecular Clouds and the Upper Atmosphere of Titan
Vigren, Erik; Hamberg, Mathias; Zhaunerchyk, Vitali; Kaminska, Magdalena; Thomas, Richard D.; Larsson, Mats; Millar, T. J.; Walsh, Catherine; Geppert, Wolf D.
Astrophysical Journal 695, 317 (2009).
DOI:10.1088/0004-637X/695/1/317

Theoretical and Experimental Sulfur K-edge X-ray Absorption Spectroscopic Study of Cysteine, Cystine, Homocysteine, Penicillamine, Methionine and Methionine Sulfoxide
Risberg, Emiliana Damian; Jalilehvand, Farideh; Leung, Bonnie O.; Pettersson, Lars G. M.; Sandström, Magnus
Dalton Transactions ?, 3542 (2009).
DOI:10.1039/b819257j

Crossed-Beam and Theoretical Studies of the S(1D) + C2H2 Reaction
Lenori, Francesca; Petrucci, Raffaelo; Hickson, Kevin E.; Hamberg, Mathias; Casavecchia, Piergiorgio; Geppert, Wolf
Journal of Physical Chemistry A 113, 4330 (2009).

Precision lifetime measurements of He- in a cryogenic electrostatic ion-beam trap
Reinhed, Peter; Orbán, Andrea; Werner, Josefina; Rosén, Stefan; Thomas, Richard D.; Kashperka, Iryna; Johansson, Henrik A. B.; Misra, Deepankar; Brännholm, Lars; Björkhage, Mikael; Cederquist, Henrik; Schmidt, Henning T.
Physical Review Letters 103, 213002 (2009).
DOI:10.1103/PhysRevLett.103.213002

The FERRUM project: Transition probabilities for forbidden lines in [Fe II] and experimental metastable lifetimes
Gurell, Jonas ; Hartman, Henrik; Blackwell-Whitehead, Richard; Nilsson, Hampus; Bäckström, Erik ; Norlin, Lars-Olov; Royen, Peder ; Mannervik, Sven
Astronomy and Astrophysics 508, 525 (2009).
DOI:10.1051/0004-6361/200913233

The Inhomogeneous Structure of Water at Ambient Conditions
Huang, Congcong; Wikfeldt, K. Thor ; Tokushima, Takashi; Nordlund, Dennis; Harada, Yoshi; Bergmann, Uwe; Niebuhr, Marc; Weiss, T. M.; Horikawa, Yoshi; Leetmaa, Mikael ; Ljungberg, Mathias P. ; Takahashi, Osamu; Lenz, Annika; Ojamäe, Lars; Lyubartsev, Alexander; Shin, Shik; Pettersson, Lars G. M. ; Nilsson, Anders
Proceedings of the National Academy of Sciences of the United States of America 106, 15214 (2009).
DOI:10.1073/pnas.0904743106

Increased Fraction of Weakened Hydrogen Bonds of Water in AOT Reverse Micelles
Waluyo, Iradwikanari; Nordlund, Dennis; Bergmann, Uwe; Pettersson, Lars G.M. ; Nilsson, Anders
Journal of Chemical Physics 131, 031103 (2009).
DOI:10.1063/1.3184764

The electronic structure of Sulfur studied by X-ray absorption and emission spectroscopy
Mori, R.A.; Paris, E.; Giuli, G.; Eeckhout, S.; Kavcic, M.; Zitnic, M.; Bucar, K.; Pettersson, Lars G.M. ; Glatzel, Pieter
Analytical Chemistry 81, 6516 (2009).
DOI:10.1021/ac900970z

Molecular dynamics simulations of fine structure in oxygen K-edge x-ray emission spectra of liquid water and ice
Odelius, Michael
Physical Review B Condensed Matter 79, 144204 (2009).
DOI:10.1103/PhysRevB.79.144204
URL:http://link.aps.org/doi/10.1103/PhysRevB.79.144204

The structure of the Au(111)/methylthiolate interface : new insights from near-edge x-ray absorption spectroscopy and x-ray standing waves.
Chaudhuri, A; Odelius, Michael; Jones, R G; Lee, T-L; Detlefs, B; Woodruff, D P
Journal of Chemical Physics 130, 124708 (2009).
DOI:10.1063/1.3102095

Solvent dependent structural perturbations of chemical reaction intermediates visualized by time-resolved x-ray diffraction.
Vincent, Jonathan; Andersson, Magnus; Eklund, Mattias; Wöhri, Annemarie B; Odelius, Michael; Malmerberg, Erik; Kong, Qingyu; Wulff, Michael; Neutze, Richard; Davidsson, Jan
Journal of Chemical Physics 130, 154502 (2009).
DOI:10.1063/1.3111401

Ultrafast dynamics of hydrogen bond exchange in aqueous ionic solutions.
Park, Sungnam; Odelius, Michael; Gaffney, Kelly J
Journal of Physical Chemistry B 113, 7825 (2009).
DOI:10.1021/jp9016739

Real-time evolution of the valence electronic structure in a dissociating molecule.
Wernet, Ph; Odelius, M; Godehusen, K; Gaudin, J; Schwarzkopf, O; Eberhardt, W
Physical Review Letters 103, 013001 (2009).
DOI:10.1103/PhysRevLett.103.013001

Information content in O[1s] K-edge X-ray emission spectroscopy of liquid water.
Odelius, Michael
Journal of Physical Chemistry A 113, 8176 (2009).
DOI:10.1021/jp903096k

X-ray Spectroscopy Calculations within Kohn-Sham DFT: Theory and Applications, in Computational methods in Catalysis and Materials Science
Leetmaa, Mikael; Ljungberg, Mathias P.; Nilsson, Anders ; Pettersson, Lars G.M.
chapter in Computational Methods in Catalysis and Materials Science, Wiley-VCH Weinheim (2009).

The Interpretation of Sulfur K-edge XANES spectra: A case Study on Thiophene and Aliphatic Sulfur Compounds
Mijovilovich, Ana; Pettersson, Lars G.M. ; Mangold, S.; Janousch, M.; Susini, J.; Salome, M.; de Groot, Frank M.F.; Weckhuysen, Bert M.
The Journal of Physical Chemistry C 113, 2750 (2009).
DOI:10.1021/jp806823c

Assessing the electric-field approximation to IR and Raman spectra of dilute HOD in D2O
Ljungberg, Mathias; Lyubartsev, Alexander; Nilsson, Anders; Pettersson, Lars
Journal of Chemical Physics 131, 034501 (2009).
DOI:10.1063/1.3154144

On the Range of Water Structure Models Compatible with X-ray and Neutron Diffraction Data
Wikfeldt, Kjartan Thor; Leetmaa, Mikael; Ljungberg, Mathias; Nilsson, Anders; Pettersson, Lars G. M.
Journal of Physical Chemistry B 113, 6246 (2009).
DOI:10.1021/jp9007619

Integral equations for different wavefunctions and their use in finding resonances
Kapshai, Valery; Shilyaeva, Ksenia; Elander, Nils
Journal of Physics B 42, 044001 (2009).
DOI:10.1088/0953-4075/42/4/044001

Identifying resonance structures in a scattering cross section using the N3+ + H -> NH3+ -> N2+ + H+ reaction as an example
Shilyaeva, Ksenia; Yarevsky, Evgeny; Elander, Nils
Journal of Physics B 42, 044011 (2009).
DOI:10.1088/0953-4075/42/4/044011

The role of resonances in building cross sections : The Mittag-Leffler expansion in a two channel scattering
Shilyaeva, Ksenia; Elander, Nils; Yarevsky, Evgeny
International Journal of Quantum Chemistry 109, 414 (2009).
DOI:10.1002/qua.21807

Theoretical and experimental sulfur K-edge X-ray absorption spectroscopic (XANES) study of cysteine, cystine, methionine and methionine sulfoxide
Damian, Emiliana; Jalilehvand, Farideh; Leung, Bonnie; Pettersson, Lars G. M.; Sandström, Magnus
Dalton Transactions 18, 3542 (2009).

Dissociative recombination of D2H+ : Comparison between recent storage-ring results and theoretical calculations
Zhaunerchyk, Vitali; Thomas, R. D.; Geppert, Wolf D.; Hamberg, Mathias; Kaminska, M.; Vigren, E.; Larsson, M.
Physical Review A. Atomic, Molecular, and Optical Physics 77, 34701 (2008).
DOI:10.1103/PhysRevA.77.034701

C-H bond formation at the graphite surface studied with core level spectroscopy
Nikitin, Anton; Naeslund, Lars-Ake; Zhang, Zhiyong; Nilsson, Anders
Surface Science 602, 2575 (2008).
DOI:10.1016/j.susc.2008.06.012

Ab initio study of the mechanism for photoinduced yl-oxygen exchange in uranyl(VI) in acidic aqueous solution
Real, Florent; Vallet, Valerie; Wahlgren, Ulf; Grenthe, Ingmar
Journal of the American Chemical Society 130, 11742 (2008).
DOI:10.1021/ja8026407

The dissociative recombination of H-3(+) - a saga coming to an end?
Larsson, Mats; McCall, B. J.; Orel, A. E.
Chemical Physics Letters 462, 145 (2008).
DOI:10.1016/j.cplett.2008.06.069

When electrons meet molecular ions and what happens next : Dissociative recombination from interstellar molecular clouds to internal combustion engines
Thomas, Richard D.
Mass spectrometry reviews (Print) 27, 485 (2008).
DOI:10.1002/mas.20169

The structure of mixed H2O-OH monolayer films on Ru(0001)
Tatarkhanov, M.; Fomin, E.; Salmeron, M.; Andersson, K.; Ogasawara, H.; Pettersson, L. G. M.; Nilsson, A.; Cerda, J. I.
Journal of Chemical Physics 129, 154109 (2008).
DOI:10.1063/1.2988903

Observation of two-dimensional longitudinal-transverse correlations in an electron beam by laser-electron interactions
Angelova, G.; Ziemann, V.; Meseck, A.; Salen, P.; van der Meulen, Peter; Hamberg, Mathias; Larsson, M.; Boedewadt, J.; Khan, S.; Winter, A.; Schlarb, H.; Loehl, F.; Saldin, E.; Schneidmiller, E.; Yurkov, M.
Physical Review Special Topics. Accelerators and Beams 11, 70702 (2008).
DOI:10.1103/PhysRevSTAB.11.070702

Dissociative recombination in the interstellar medium and planetary ionospheres
Geppert, Wolf D.; Larsson, M.
Molecular Physics 106, 2199 (2008).
DOI:10.1080/00268970802322074

Double photoionization of thiophene and bromine-substituted thiophenes
Linusson, Per; Storchi, L.; Heijkenskjold, F.; Andersson, E.; Elshakre, M.; Pfeifer, B.; Colombet, Meryll; Eland, J. H. D.; Karlsson, L.; Rubensson, J. -E; Tarantelli, F.; Feifel, R.
Journal of Chemical Physics 129, 234303 (2008).
DOI:10.1063/1.3039082

Coincidence technique using synchrotron radiation for triple photoionization : Results on rare gas atoms
Eland, J. H. D.; Linusson, Per; Hedin, L.; Andersson, E.; Rubensson, J. -E; Feifel, R.
Physical Review A. Atomic, Molecular, and Optical Physics 78, 63423 (2008).
DOI:10.1103/PhysRevA.78.063423

H-3(+) : the initiator of interstellar chemistry
Larsson, Mats
International Journal of Astrobiology 7, 237 (2008).
DOI:10.1017/S1473550408004230

Dissociative recombination of fully deuterated protonated acetonitrile, CD3CND+ : Product branching fractions, absolute cross section and thermal rate coefficient
Vigren, Erik; Kaminska, Magdalena; Hamberg, Mathias; Zhaunerchyk, Vitali; Thomas, Richard D.; Danielsson, Mathias; Semaniak, Jacek; Andersson, Patrik U.; Larsson, Mats; Geppert, Wolf D.
Physical Chemistry, Chemical Physics - PCCP 10, 4014 (2008).
DOI:10.1039/b801566j

DESIREE as a new tool for interstellar ion chemistry
Schmidt, Henning; Johansson, Henrik; Thomas, Richard; Geppert, Wolf; Haag, Nicole; Reinhed, Peter; Rosén, Stefan; Larsson, Mats; Danared, Håkan; Rensfelt, K.-G; Liljeby, Leif; Bagge, Lars; Björkhage, Mikael; Blom, Mikael; Löfgren, Patrik; Källberg, Anders; Simonsson, Ansgar; Paál, Andras; Zettergren, Henning; Cederquist, Henrik
International Journal of Astrobiology 7, 205 (2008).
DOI:10.1017/S1473550408004229

Lifetimes of metastable levels of singly ionized titanium : theory and experiment
Palmeri, Patrick; Quinet, Pascal; Biémont, Emile; Gurell, Jonas; Lundin, Peter; Norlin, Lars-Olov; Royen, Peder; Blagoev, Kiril; Mannervik, Sven F.
Journal of Physics B 41, ? (2008).
DOI:10.1088/0953-4075/41/12/125703

Quantum interference structures in trapped ion dynamics beyond the Lamb-Dicke and rotating wave approximations
Wang, Dong; Hansson, Tony; Larson, Åsa; Karlsson, Hans O.; Larson, Jonas
Physical Review A. Atomic, Molecular, and Optical Physics 77, ? (2008).
DOI:10.1103/PhysRevA.77.053808

The cross-section and branching fractions for dissociative recombination of the diacetylene cation C4D2+
Danielsson, Mathias; Hamberg, Mathias; Simonsson, Ansgar; Paál, Andreas; Larsson, Mats; Geppert, Wolf; Zhaunerchyk, Vitaly; Ehlerding, Anneli; Kaminska, Magdalena; Hellberg, Fredrik; Thomas, Richard; Österdal, Fabian; af Ugglas, Magnus; Källberg, Anders
International Journal of Mass Spectrometry 273, 111 (2008).
DOI:10.1016/j.ijms.2008.03.009

Diffraction and IR/Raman Data do not Prove Tetrahedral Water
Leetmaa, Mikael; Wikfeldt, Kjartan Thor; Ljungberg, Mathias P.; Odelius, Michael; Swenson, Jan; Nilsson, Anders; Pettersson, Lars G. M.
Journal of Chemical Physics 129, 084502 (2008).
DOI:10.1063/1.2968550

Metastable levels in ScII : Lifetime measurements and calculations
Lundin, Peter; Gurell, Jonas; Mannervik, Sven; Royen, Peder; Norlin, Lars-Olov; Hartman, Henrik; Hibbert, Alan
Physica scripta. T 78, 015301 (2008).
DOI:10.1088/0031-8949/78/01/015301

The FERRUM project: Experimental and theoretical transition rates of forbidden [Sc II] lines and radiative lifetimes of metastable Sc II levels
Hartman, Henrik; Gurell, Jonas; Lundin, Peter; Schef, Peter; Hibbert, Alan; Lundberg, Hans; Mannervik, Sven; Norlin, Lars-Olov; Royen, Peder
Astronomy and Astrophysics 480, 575 (2008).
DOI:10.1051/0004-6361:20079057

Integral equations and complex resonance energies for analytical potentials
Kapshai, Valery; Alferova, Tatjana; Elander, Nils
International Journal of Quantum Chemistry 107, 1029 (2007).
DOI:10.1002/qua.21229

Electronic and molecular surface structure of a polyene-diphenylaniline dye adsorbed from solution onto nanoporous TiO2
Johansson, Erik M. J.; Edvinsson, Tomas; Odelius, Michael; Hagberg, Daniel P.; Sun, Licheng; Hagfeldt, Anders; Siegbahn, Hans; Rensmo, Hakan
The Journal of Physical Chemistry C 111, 8580 (2007).
DOI:10.1021/jp068771y

Electron-impact dissociation of CH2+ ions : Measurement of CH+ and C+ fragment ions
Vane, C. R.; Bahati, E. M.; Bannister, M. E.; Thomas, Richard D.
Physical Review A. Atomic, Molecular, and Optical Physics 75, 52715 (2007).
DOI:10.1103/PhysRevA.75.052715

Geometrical characterization of adenine and guanine on Cu(110) by NEXAFS, XPS, and DFT calculation
Furukawa, Masashi; Yamada, Taro; Katano, Satoshi; Kawai, Maki; Ogasawara, Hirohito; Nilsson, Anders
Surface Science 601, 5433 (2007).
DOI:10.1016/j.susc.2007.09.009

Theoretical X-ray absorption investigation of the uniaxial compression of hexagonal graphite
Shaw, Dawn M.; Odelius, Michael; Tse, John S.
Canadian journal of chemistry (Print) 85, 837 (2007).
DOI:10.1139/V07-102

Dissociative recombination of the deuterated acetaldehyde ion, CD3CDO+ : product branching fractions, absolute cross sections and thermal rate coefficient
Vigren, Erik; Kaminska, Magdalena; Hamberg, Mathias; Zhaunerchyk, Vitali; Thomas, Richard D.; Semaniak, Jacek; Danielsson, Mathias; Larsson, Mats; Geppert, Wolf D.
Physical Chemistry, Chemical Physics - PCCP 9, 2856 (2007).
DOI:10.1039/B700649G

Operating a triple stack microchannel plate-phosphor assembly for single particle counting in the 12-300 K temperature range
Rosén, Stefan; Schmidt, Henning; Reinhed, Peter; Fischer, Daniel; Thomas, Richard; Cederquist, Henrik; Liljeby, Leif; Bagge, Lars; Leontein, Sven; Blom, Mikael
Review of Scientific Instruments 78, 113301 (2007).
DOI:10.1063/1.2814030
URL:http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-32659

Isotope quantum effects in the electron momentum density of water.
Nygård, K; Hakala, M; Pylkkänen, T; Manninen, S; Buslaps, T; Itou, M; Andrejczuk, A; Sakurai, Y; Odelius, Michael; Hämäläinen, K
Journal of Chemical Physics 126, 154508 (2007).
DOI:10.1063/1.2723093

Frontier electronic structures of Ru(tcterpy)(NCS)3 and Ru(dcbpy)2(NCS)2 : a photoelectron spectroscopy study.
Johansson, Erik M J; Hedlund, Maria; Odelius, Michael; Siegbahn, Hans; Rensmo, Håkan
Journal of Chemical Physics 126, 244303 (2007).
DOI:10.1063/1.2738066

Monitoring the weak collisional excitation of a stored ion beam reveals the radiative decay rate of extremely long-lived metastable levels
Royen, P.; Gurell, J.; Lundin, P.; Norlin, L-O; Mannervik, S.
Physical Review A. Atomic, Molecular, and Optical Physics 76, 030502 (2007).
DOI:10.1103/PhysRevA.76.030502

Laser-probing measurements and calculations of lifetimes of the 5d 2D3/2 and 5d 2D5/2 metastable levels in Ba II
Gurell, Jonas; Biémont, E.; Blagoev, K.; Fivet, V.; Lundin, Peter; Mannervik, Sven; Norlin, L-O; Quinet, P.; Rostohar, D.; Royen, Peder; Schef, P.
Physical Review A. Atomic, Molecular, and Optical Physics 75, 052506 (2007).
DOI:10.1103/PhysRevA.75.052506

Sulfur X-ray absorption and vibrational spectroscopic study of sulfite, sulfur dioxide and sulfonate solutions, and of the substituted sulfonate ions X3CSO3- (X = H, Cl, F)
Risberg, Emiliana, Damian; Eriksson, Lars; Mink, Janos; Pettersson, Lars G. M.; Skripkin, Mikhail Yu.; Sandström, Magnus
Inorganic Chemistry 46, 8332 (2007).
DOI:10.1021/ic062440i

Probing the Electron Delocalization in Liquid Water and Ice at Attosecond Time Scales
Nordlund, D.; Ogasawara, H.; Odelius, M.; Pettersson, L.G.M.; Nilsson, A.; Bluhm, H.; Takahashi, O.
Physical Review Letters 99, 217406 (2007).
DOI:10.1103/PhysRevLett.99.217406

Finite element investigation of the ground states of the helium trimers 4He3 and 4He23He
Salci, Moses; Evgeny, Yarevsky; Levin, Sergey B.; Elander, Nils
International Journal of Quantum Chemistry 107, 464 (2007).
DOI:10.1002/qua.21095

Probing the Electron Delocalization in Liquid Water and Ice at Attosecond Time Scales
Nordlund, Dennis; Ogasawara, Hirohito; Bluhm, Hendrik; Takahashi, Osamu; Odelius, Michael; Nagasono, M.; Pettersson, Lars G.M.; Nilsson, Anders
Physical Review Letters 99, 217406 (2007).
DOI:10.1103/PhysRevLett.99.217406
URL:http://link.aps.org/doi/10.1103/PhysRevLett.99.217406

Role of resonances in building cross sections : A comparison between the Mittag-Leffler and the Lippman Schwiger approaches
Shilyaeva, Ksenia; Elander , Nils; Yarevsky, Evgeny
International Journal of Quantum Chemistry 107, 1301 (2007).
DOI:10.1002/qua.21257

Inclusion of Electric Octupole Contributions Explains the Fast Radiative Decays of Two Metastable States in Ar+
Lundin, P.; Gurell, J.; Norlin, L-O; Royen, P.; Mannervik, S.; Palmeri, P.; Quinet, P.; Fivet, V; Biémont, É.
Physical Review Letters 99, 213001 (2007).
DOI:10.1103/PhysRevLett.99.213001

Dissociative recombination of protonated methanol
Geppert, Wolf ; Hamberg, Mathias; Thomas, Richard D.; Österdahl, Fabian; Hellberg, Fredrik; Zhaunerchyk, Vitali; Ehlerding, Anneli; Millar, Tom; Roberts, Helen; Semaniak, Jacek; af Ugglas, Magnus; Källberg, Anders; Simonsson, Ansgar; Kaminska, Magdalena; Larsson, Mats
Faraday discussions (Online) 133, 177 (2006).

Integral equations for the Jost solutions and decaying resonance states
Kapshai, Valery; Shilyaeva, Ksenia; Elander, Nils
? 6, 3 (2006).

Tools for assigning resonance structures in collisions of few body quantum systems
Elander, Nils; Shilyaeva, Ksenia; Ostrovsky, Valentin; Yarevsky, Evgeny; Rakityanski, Sergey
Few-body systems 38, 109 (2006).
DOI:10.1007/s00601-005-0144-9

Structure of water adsorbed on the open Cu(110) surface: H-up, H-down, or both?
Schiros, Theanne; Haq, Sam; Ogasawara, Hirohito; Takahashi, Osamu; Öström, Henrik; Andersson, Klas; Pettersson, Lars G.M.; Hodgson, Andrew; Nilsson, Anders
Chemical Physics Letters 429, 415 (2006).
DOI:10.1016/j.cplett.2006.08.048

Are Recent Water Models Obtained by Fitting Diffraction Data Consistent with IR/Raman and X-ray Absorption Spectra?
Leetmaa, Mikael ; Ljungberg, Mathias ; Ogasawara, H.; Odelius, Michael ; Näslund, L.Å.; Nilsson, Anders
Journal of Chemical Physics 125, 244510 (2006).
DOI:10.1063/1.2408419

Dissociative recombination of protonated methanol
Geppert, W.D.; Hamberg, M.; Thomas, R.D.; Österdahl, F.; Hellberg, F. ; Zhauernerchyk, V.; Ehlerding, A. ; Millar, T.J.; Roberts, H.; Semaniak, J.; af Ugglas, M.; Källberg, Anders; Simonsson, Ansgar; Kaminska, M.; Larsson, M.
Journal of the Chemical Society, Faraday Transactions 133, 177 (2006).
DOI:10.1039/b516010c