Journal of Chemical Physics, 0021-9606

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  1. Article
  2. Adsorption of ammonia on multilayer iron phthalocyanine.

    Isvoranu, C., Jan Knudsen, Ataman, E., Karina Schulte, Wang, B., Bocquet, M-L., Andersen, J. N. & Joachim Schnadt, 2011, In : Journal of Chemical Physics. 134, 11, 114711.

    Research output: Contribution to journalArticle

  3. On the structure of the matrix isolated water trimer.

    Ceponkus, J., Per Uvdal & Nelander, B., 2011, In : Journal of Chemical Physics. 134, 6, 064309.

    Research output: Contribution to journalArticle

  4. Dissimilar bouncy walkers

    Lomholt, M. A., Lizana, L. & Tobias Ambjörnsson, 2011, In : Journal of Chemical Physics. 134, 4, 045101.

    Research output: Contribution to journalArticle

  5. Communication: Delayed asymmetric Coulomb fission of molecular clusters: Application of a dielectric liquid-drop model.

    Wu, G., Chen, X., Stace, A. J. & Linse, P., 2011, In : Journal of Chemical Physics. 134, 3, 031103.

    Research output: Contribution to journalArticle

  6. Ammonia adsorption on iron phthalocyanine on Au(111): Influence on adsorbate-substrate coupling and molecular spin.

    Isvoranu, C., Wang, B., Ataman, E., Karina Schulte, Jan Knudsen, Andersen, J. N., Bocquet, M-L. & Joachim Schnadt, 2011, In : Journal of Chemical Physics. 134, 11, 114710.

    Research output: Contribution to journalArticle

  7. Macroion solutions in the cell model studied by field theory and Monte Carlo simulations.

    Lue, L. & Linse, P., 2011, In : Journal of Chemical Physics. 135, 22, 224508.

    Research output: Contribution to journalArticle

  8. Accelerating atomic-level protein simulations by flat-histogram techniques.

    Jonsson, S., Mohanty, S. & Anders Irbäck, 2011, In : Journal of Chemical Physics. 135, 12, 125102.

    Research output: Contribution to journalArticle

  9. Ionic bonding in free nanoscale NaCl clusters as seen by photoelectron spectroscopy

    Zhang, C., Andersson, T., Svensson, S., Bjorneholm, O., Huttula, M., Mikkela, M-H., Maxim Tchaplyguine & Gunnar Öhrwall, 2011, In : Journal of Chemical Physics. 134, 12, 124507.

    Research output: Contribution to journalArticle

  10. Mutation-induced fold switching among lattice proteins.

    Holzgräfe, C., Anders Irbäck & Carl Troein, 2011, In : Journal of Chemical Physics. 135, 19, 195101.

    Research output: Contribution to journalArticle

  11. Plasmon single- and multi-quantum excitation in free metal clusters as seen by photoelectron spectroscopy.

    Andersson, T., Zhang, C., Aldana Rosso, Bradeanu, I., Legendre, S., Canton, S., Maxim Tchaplyguine, Gunnar Öhrwall, Stacey Ristinmaa Sörensen, Svensson, S., Mårtensson, N. & Björneholm, O., 2011, In : Journal of Chemical Physics. 134, 9, 094511.

    Research output: Contribution to journalArticle

  12. Structural dynamics of supercooled water from quasielastic neutron scattering and molecular simulations.

    Qvist, J., Schober, H. & Bertil Halle, 2011, In : Journal of Chemical Physics. 134, 14, 144508.

    Research output: Contribution to journalArticle

  13. Charge transfer between the Au(111) surface and adsorbed C-60: Resonant photoemission and new core-hole decay channels

    Britton, A. J., Rienzo, A., O'Shea, J. N. & Karina Schulte, 2010, In : Journal of Chemical Physics. 133, 9

    Research output: Contribution to journalArticle

  14. Acceptor switching and axial rotation of the water dimer in matrices, observed by infrared spectroscopy.

    Ceponkus, J., Per Uvdal & Nelander, B., 2010, In : Journal of Chemical Physics. 133, 7, 074301.

    Research output: Contribution to journalArticle

  15. Nuclear motion in carbonyl sulfide induced by resonant core electron excitation

    Laksman, J., Céolin, D., Mathieu Gisselbrecht & Stacey Ristinmaa Sörensen, 2010, In : Journal of Chemical Physics. 133, 14, p. 144314-1-144314-6

    Research output: Contribution to journalArticle

  16. Sulfur K-edge photofragmentation of ethylene sulfide

    Stolte, W. C. & Gunnar Öhrwall, 2010, In : Journal of Chemical Physics. 133, 1

    Research output: Contribution to journalArticle

  17. Retardation effects breaking long-range orientational ordering in dipolar fluids.

    Gunnar Karlström & Linse, P., 2010, In : Journal of Chemical Physics. 132, 5, 054505.

    Research output: Contribution to journalArticle

  18. Bulk simulation of polar liquids in spherical symmetry.

    Joakim Stenhammar, Linse, P. & Gunnar Karlström, 2010, In : Journal of Chemical Physics. 132, 10, 104507.

    Research output: Contribution to journalArticle

  19. X-ray absorption and photoemission spectroscopy of zinc protoporphyrin adsorbed on rutile TiO2(110) prepared by in situ electrospray deposition

    Rienzo, A., Mayor, L. C., Magnano, G., Satterley, C. J., Ataman, E., Joachim Schnadt, Karina Schulte & O'Shea, J. N., 2010, In : Journal of Chemical Physics. 132, 8

    Research output: Contribution to journalArticle

  20. Valence photoelectron spectroscopy of N-2 and CO: Recoil-induced rotational excitation, relative intensities, and atomic orbital composition of molecular orbitals

    Thomas, T. D., Kukk, E., Ouchi, T., Yamada, A., Fukuzawa, H., Ueda, K., Puettner, R., Higuchi, I., Tamenori, Y., Asahina, T., Kuze, N., Kato, H., Hoshino, M., Tanaka, H., Lindblad, A. & Saethre, L. J., 2010, In : Journal of Chemical Physics. 133, 17, 174312.

    Research output: Contribution to journalArticle

  21. Basis set representation of the electron density at an atomic nucleus

    Mastalerz, R., Per-Olof Widmark, Roos, B., Lindh, R. & Reiher, M., 2010, In : Journal of Chemical Physics. 133, 14, 144111.

    Research output: Contribution to journalArticle

  22. Weakly chirped pulses in frequency resolved coherent spectroscopy.

    Christensson, N., Avlasevich, Y., Arkady Yartsev, Müllen, K., Torbjörn Pascher & Tönu Pullerits, 2010, In : Journal of Chemical Physics. 132, 17, p. 174508-1-174508-10

    Research output: Contribution to journalArticle

  23. Simulations of high-dielectric Stockmayer fluids in hyperspherical geometry.

    Martin Trulsson, 2010, In : Journal of Chemical Physics. 133, 17, 174105.

    Research output: Contribution to journalArticle

  24. Adsorption geometry, molecular interaction, and charge transfer of triphenylamine-based dye on rutile TiO2(110)

    Yu, S., Ahmadi, S., Zuleta, M., Tian, H., Karina Schulte, Pietzsch, A., Franz Hennies, Weissenrieder, J., Yang, X. & Gothelid, M., 2010, In : Journal of Chemical Physics. 133, 22, 224704.

    Research output: Contribution to journalArticle

  25. Dressed counterions: Strong electrostatic coupling in the presence of salt

    Kanduc, M., Naji, A., Jan Forsman & Podgornik, R., 2010, In : Journal of Chemical Physics. 132, 12, 124701.

    Research output: Contribution to journalArticle

  26. Double-quantum two-dimensional electronic spectroscopy of a three-level system: Experiments and simulations

    Nemeth, A., Milota, F., Mancal, T., Tönu Pullerits, Sperling, J., Hauer, J., Kauffmann, H. F. & Christensson, N., 2010, In : Journal of Chemical Physics. 133, 9

    Research output: Contribution to journalArticle

  27. Depletion interaction between spheres in an ideal equilibrium polymer fluid: Exact asymptotic results

    Woodward, C. E. & Jan Forsman, 2010, In : Journal of Chemical Physics. 133, 15, 154902.

    Research output: Contribution to journalArticle

  28. Correlation energy functional and potential from time-dependent exact-exchange theory.

    Hellgren, M. & Ulf von Barth, 2010, In : Journal of Chemical Physics. 132, 4, 044101.

    Research output: Contribution to journalArticle

  29. Structural analysis of ultrafast extended x-ray absorption fine structure with subpicometer spatial resolution: Application to spin crossover complexes

    Gawelda, W., Van Der Veen, R. M., Grolimund, D., Abela, R., Chergui, M., Bressler, C. & Van-Thai Pham, 2009 Apr 8, In : Journal of Chemical Physics. 130, 12, 124520.

    Research output: Contribution to journalArticle

  30. Electric multipole moment fluctuations in polar liquids.

    Joakim Stenhammar, Linse, P., Per-Åke Malmqvist & Gunnar Karlström, 2009, In : Journal of Chemical Physics. 130, 12, 124521.

    Research output: Contribution to journalArticle

  31. Systematic truncation of the virtual space in multiconfigurational perturbation theory

    Aquilante, F., Todorova, T. K., Gagliardi, L., Pedersen, T. & Roos, B., 2009, In : Journal of Chemical Physics. 131, 3

    Research output: Contribution to journalArticle

  32. Near-infrared photoabsorption by C-60 dianions in a storage ring

    Kadhane, U., Andersen, J. U., Bonderup, E., Concina, B., Hvelplund, P., Kirketerp, M. -B. S., Liu, B., Nielsen, S. B., Panja, S., Rangama, J., Stochkel, K., Tomita, S., Zettergren, H., Hansen, K., Sunden, A. E. K., Canton, S., Echt, O. & Forster, J. S., 2009, In : Journal of Chemical Physics. 131, 1

    Research output: Contribution to journalArticle

  33. Bubble merging in breathing DNA as a vicious walker problem in opposite potentials.

    Pedersen, J., Hansen, M. S., Novotný, T., Tobias Ambjörnsson & Metzler, R., 2009, In : Journal of Chemical Physics. 130, 16, 164117.

    Research output: Contribution to journalArticle

  34. Probing the strength of the system-bath interaction by three-pulse photon echoes.

    Christensson, N., Dietzek, B., Arkady Yartsev & Tönu Pullerits, 2009, In : Journal of Chemical Physics. 130, 2, 024510.

    Research output: Contribution to journalArticle

  35. Fragmentation properties of three-membered heterocyclic molecules by partial ion yield spectroscopy: C2H4O and C2H4S

    Stolte, W. C., Dumitriu, I., Yu, S. -W., Gunnar Öhrwall, Piancastelli, M. N. & Lindle, D. W., 2009, In : Journal of Chemical Physics. 131, 17, 174306.

    Research output: Contribution to journalArticle

  36. On the importance of vibrational contributions to small-angle optical rotation: Fluoro-oxirane in gas phase and solution.

    Pedersen, T., Kongsted, J., Crawford, T. D. & Ruud, K., 2009, In : Journal of Chemical Physics. 130, 3, 034310.

    Research output: Contribution to journalArticle

  37. Large variations in the propensity of aqueous oxychlorine anions for the solution/vapor interface

    Ottosson, N., Vacha, R., Aziz, E. F., Pokapanich, W., Eberhardt, W., Svensson, S., Gunnar Öhrwall, Jungwirth, P., Bjorneholm, O. & Winter, B., 2009, In : Journal of Chemical Physics. 131, 12

    Research output: Contribution to journalArticle

  38. Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency

    Aquilante, F., Gagliardi, L., Pedersen, T. & Lindh, R., 2009, In : Journal of Chemical Physics. 130, 15

    Research output: Contribution to journalArticle

  39. Density functional theories of surface interactions in salt solutions

    Jan Forsman, 2009, In : Journal of Chemical Physics. 130, 6

    Research output: Contribution to journalArticle

  40. Surface enhanced Raman scattering of pyridine adsorbed on Au@Pd core/shell nanoparticles

    Yang, Z., Li, Y., Li, Z., Wu, D., Kang, J., Xu, H. & Sun, M., 2009, In : Journal of Chemical Physics. 130, 23, 234705.

    Research output: Contribution to journalArticle

  41. Electron spectroscopy study of the initial stages of iron phthalocyanine growth on highly oriented pyrolitic graphite.

    Isvoranu, C., Ahlund, J., Wang, B., Ataman, E., Mårtensson, N., Puglia, C., Andersen, J. N., Bocquet, M-L. & Joachim Schnadt, 2009, In : Journal of Chemical Physics. 131, 21, 214709.

    Research output: Contribution to journalArticle

  42. Dynamics of proton migration and dissociation in core-excited ethyne probed by multiple ion momentum imaging

    Laksman, J., Céolin, D., Mathieu Gisselbrecht, Canton, S. & Stacey Ristinmaa Sörensen, 2009, In : Journal of Chemical Physics. 131, 24, p. 244305-1-244305-4

    Research output: Contribution to journalArticle

  43. A dose dependence study of O-2 adsorbed on large Ar clusters

    Rander, T., Lindblad, A., Lundwall, M., Maxim Tchaplyguine, Ohrwall, G., Svensson, S. & Bjorneholm, O., 2009, In : Journal of Chemical Physics. 130, 22

    Research output: Contribution to journalArticle

  44. Ion-specific thermodynamics of multicomponent electrolytes: A hybrid HNC/MD approach

    Vrbka, L., Mikael Lund, Kalcher, I., Dzubiella, J., Netz, R. R. & Kunz, W., 2009, In : Journal of Chemical Physics. 131, 15

    Research output: Contribution to journalArticle