Journal of Chemical Physics, 0021-9606

Tidskrift

Fler filtreringsmöjligheter
  1. 2008
  2. The restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO(2) and Cu(2)O(2) systems.

    Per-Åke Malmqvist, Pierloot, K., Shahi, A. R. M., Cramer, C. J. & Gagliardi, L., 2008, I : Journal of Chemical Physics. 128, 20, 204109.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  3. Thermodynamics and kinetics of a Go(o)over-bar proteinlike heteropolymer model with two-state folding characteristics

    Kallias, A., Bachmann, M. & Janke, W., 2008, I : Journal of Chemical Physics. 128, 5, s. 055102-7 pp

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  4. Thermodynamics of peptide aggregation processes: An analysis from perspectives of three statistical ensembles.

    Junghans, C., Bachmann, M. & Janke, W., 2008, I : Journal of Chemical Physics. 128, 8, 085103.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  5. X-ray absorption and resonant Auger spectroscopy of O(2) in the vicinity of the O 1s-->sigma(*) resonance: Experiment and theory.

    Feifel, R., Velkov, Y., Carravetta, V., Angeli, C., Cimiraglia, R., Sałek, P., Gel'mukhanov, F., Stacey Ristinmaa Sörensen, Piancaśtelli, M. N., De Fanis, A., Okada, K., Kitajima, M., Tanaka, T., Tanaka, H. & Ueda, K., 2008, I : Journal of Chemical Physics. 128, 6, 064304.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  6. 2007
  7. Ab initio characterization of C-5

    Masso, H., Valera Veryazov, Per-Åke Malmqvist, Roos, B. & Senent, M. L., 2007, I : Journal of Chemical Physics. 127, 15

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  8. Adsorption of polar molecules on krypton clusters

    A. Rosso, Pokapanich, W., G. Öhrwall, S. Svensson, Björneholm, O. & M. Tchaplyguine, 2007, I : Journal of Chemical Physics. 127, 8, 084313.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  9. Analytic high-order Douglas-Kroll-Hess electric field gradients

    Mastalerz, R., Barone, G., Lindh, R. & Reiher, M., 2007, I : Journal of Chemical Physics. 127, 7

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  10. Comment on "Electronic structure of C-60 on Au(887)" [J. Chem. Phys. 125, 144719 (2006)]

    Schiessling, J. & Bruhwiler, P. A., 2007, I : Journal of Chemical Physics. 127, 6

    Forskningsoutput: TidskriftsbidragDebate/Note/Editorial

  11. Do coupling exciton and oscillation of electron-hole pair exist in neutral and charged pi-dimeric quinquethiophenes?

    Sun, M., Liu, L., Ding, Y. & Xu, H., 2007, I : Journal of Chemical Physics. 127, 8, 084706.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  12. Exciton diffusion and relaxation in methyl-substituted polyparaphenylene polymer films

    Gulbinas, V., Mineviciute, I., Hertel, D., Wellander, R., Arkady Yartsev & Villy Sundström, 2007, I : Journal of Chemical Physics. 127, 14

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  13. H2S ultrafast dissociation probed by energy-selected resonant Auger electron-ion coincidence measurements

    Le Guen, K., Miron, C., Céolin, D., Guillemin, R., Leclercq, N., Simon, M., Morin, P., Mocellin, A., Bjorneholm, O., de Brito, A. N. & Stacey Ristinmaa Sörensen, 2007, I : Journal of Chemical Physics. 127, 11, 114315.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  14. Implications of a high dielectric constant in proteins

    Mikael Lund, Bo Jönsson & Woodward, C., 2007, I : Journal of Chemical Physics. 126, 22

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  15. Interaction between colloids with grafted diblock polyampholytes

    Linse, P., 2007, I : Journal of Chemical Physics. 126, 11

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  16. Localized versus delocalized excitations just above the 3d threshold in krypton clusters studied by Auger electron spectroscopy

    Maxim Tchaplyguine, Kivimäki, A., Peredkov, S., Stacey Ristinmaa Sörensen, Aldana Rosso, Gunnar Öhrwall, Schulz, J., Lundwall, M., Björneholm, O., Mårtensson, N., Rander, T. & Lindblad, A., 2007, I : Journal of Chemical Physics. 127, 12, 124314.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  17. Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals

    Aquilante, F., Pedersen, T. & Lindh, R., 2007, I : Journal of Chemical Physics. 126, 19

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  18. Midinfrared polarization spectroscopy of OH and hot water in low pressure lean premixed flames

    Zhongshan Li, Hu, C., Johan Zetterberg, Linvin, M. & Marcus Aldén, 2007, I : Journal of Chemical Physics. 127, 8

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  19. Performance of density functionals for first row transition metal systems

    Jensen, K., Roos, B. & Ulf Ryde, 2007, I : Journal of Chemical Physics. 126, 1, 014103.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  20. Probing the valence character of O-1s -> Rydberg excited O-2 by participator Auger decay measurements and partial ion yield spectroscopy following x-ray absorption

    Feifel, R., Tanaka, T., Kitajima, M., Tanaka, H., De Fanis, A., Sankari, R., Karlsson, L., Stacey Ristinmaa Sörensen, Piancastelli, M-N., Prumper, G., Hergenhahn, U. & Ueda, K., 2007, I : Journal of Chemical Physics. 126, 17, 174304.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  21. Propagation of terahertz pulses in photoexcited media: Analytical theory for layered systems

    Kuzel, P., Kadlec, F. & Nemec, H., 2007, I : Journal of Chemical Physics. 127, 2

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  22. Scanning tunneling microscopy study of metal-free phthalocyanine monolayer structures on graphite

    Nilson, K., Ahlund, J., Brena, B., Gothelid, E., Schiessling, J., Martensson, N. & Puglia, C., 2007, I : Journal of Chemical Physics. 127, 11

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  23. Self-assembled heterogeneous argon/neon core-shell clusters studied by photoelectron spectroscopy

    Lundwall, M., Pokapanich, W., Bergersen, H., Lindblad, A., Rander, T., Ohrwall, G., Maxim Tchaplyguine, Barth, S., Hergenhahn, U., Svensson, S. & Bjorneholm, O., 2007, I : Journal of Chemical Physics. 126, 21

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  24. Study of water dynamics and distances in paramagnetic solids by variable-temperature two-dimensional H-2 NMR spectroscopy

    Antonijevic, S. & Persson Sunde, E., 2007, I : Journal of Chemical Physics. 126, 1

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  25. Synchrotron radiation study of chloromethane clusters: Effects of polarizability and dipole moment on core level chemical shifts

    Aldana Rosso, Lindblad, A., Lundwall, M., Rander, T., Svensson, S., Maxim Tchaplyguine, Gunnar Öhrwall & Bjorneholm, O., 2007, I : Journal of Chemical Physics. 127, 2

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  26. The (1x1)-> hexagonal structural transition on Pt(100) studied by high-energy resolution core level photoemission

    Baraldi, A., Veselli, E., Bianchettin, L., Comelli, G., Lizzit, S., Petaccia, L., Gironcoli, S., Locatelli, A., Onur Mentes, T., Aballe, L., Weissenrieder, J. & Andersen, J. N., 2007, I : Journal of Chemical Physics. 127, 164702.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift