Journal of Chemical Physics, 0021-9606

Tidskrift

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  1. Adsorption of Bi-Isonicotinic Acid on Rutile TiO2 (110)

    Patthey, L., Rensmo, H., Petter Persson, Westermark, K., Vayssieres, L., Stashans, A., Petersson, A., Bruhwiler, P. A., Siegbahn, H., Lunell, S. & Mårtensson, N., 1999, I : Journal of Chemical Physics. 110, 12, s. 5913-5918

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  2. Relativistic and correlated calculations on the ground and excited states of ThO.

    Paulovic, J., Nakajima, T., Hirao, K., Lindh, R. & Per-Åke Malmqvist, 2003, I : Journal of Chemical Physics. 119, 2, s. 798-805

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  3. Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using Cholesky decompositions

    Pedersen, T., Sánchez de Meras, A. M. J. & Koch, H., 2004, I : Journal of Chemical Physics. 120, 19, s. 8887-8897

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  4. 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, I : Journal of Chemical Physics. 130, 16, 164117.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  5. 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, I : Journal of Chemical Physics. 130, 3, 034310.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  6. Ion-ion correlation attraction in a molecular solvent.

    Pegado, L., Bo Jönsson & Håkan Wennerström, 2008, I : Journal of Chemical Physics. 129, 18, 184503.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  7. Optical properties of low band gap alternating copolyfluorenes for photovoltaic devices

    Persson, N-K., Sun, M., Kjellberg, P., Tönu Pullerits & Inganas, O., 2005, I : Journal of Chemical Physics. 123, 20, s. 204718-204718-9

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  8. N1s x-ray Absorption Study of the Bonding Interaction of Bi-Isonicotinic Acid on Rutile TiO2 (110)

    Petter Persson, Lunell, S., Bruhwiler, P. A., Schnadt, J., Södergren, S., O'Shea, J. N., Karis, O., Siegbahn, H., Mårtensson, N., Bässler, M. & Patthey, L., 2000, I : Journal of Chemical Physics. 112, 9, s. 3945-3948

    Forskningsoutput: TidskriftsbidragLetter

  9. The Smallest Possible Nanocrystals of Semiionic Oxides

    Petter Persson, Gebhardt, J. C. M. & Lunell, S., 2003, I : Journal of Chemical Physics. 107, 15, s. 3336-3339

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  10. X-ray absorption study of the bonding interaction of bi-isonicotinic acid adsorbed on rutile TiO2 (110)

    Persson, P., Lunell, S., Brühwiler, P. A., Joachim Schnadt, Södergren, S., O'Shea, J. N., Karis, O., Siegbahn, H., Mårtensson, N., Bässler, M. & Patthey, L., 2000, I : Journal of Chemical Physics. 112, 9, s. 3945-3948

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  11. Compressibility of the protein-water interface

    Filip Persson & Bertil Halle, 2018 jun 7, I : Journal of Chemical Physics. 148, 21, 215102.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  12. How proteins modify water dynamics

    Filip Persson, Pär Söderhjelm & Bertil Halle, 2018 jun 7, I : Journal of Chemical Physics. 148, 21, 215103.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  13. The geometry of protein hydration

    Filip Persson, Pär Söderhjelm & Bertil Halle, 2018 jun 7, I : Journal of Chemical Physics. 148, 21, 215101.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  14. The spatial range of protein hydration

    Filip Persson, Pär Söderhjelm & Bertil Halle, 2018 jun 7, I : Journal of Chemical Physics. 148, 21, 215104.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  15. Scaling and scale breaking in polyelectrolytes

    Peterson, C., Sommelius, O. & Bo Söderberg, 1996, I : Journal of Chemical Physics. 105, 12, s. 5233-5241 9 s.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  16. A boot-strap Poisson-Boltzmann theory for the structure and thermodynamics of chargd colloidal solutions

    Petris, S. N., Chan, D. Y. C. & Linse, P., 2003, I : Journal of Chemical Physics. 118, 11, s. 5248-5259

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  17. Ion-pairing in aqueous CaCl2 and RbBr solutions: Simultaneous structural refinement of XAFS and XRD data

    Pham, V-T. & Fulton, J. L., 2013 jan 28, I : Journal of Chemical Physics. 138, 4, 044201.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  18. Effect of discrete macroion charge distributions in solutions of like-charged macroions

    Qamhieh, K. & Linse, P., 2005, I : Journal of Chemical Physics. 123, 10, s. 104901-104901-12

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  19. Rotational dynamics in supercooled water from nuclear spin relaxation and molecular simulations.

    Qvist, J., Mattea, C., Persson Sunde, E. & Bertil Halle, 2012, I : Journal of Chemical Physics. 136, 20, 204505.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  21. Suppression of the molecular ultra-fast dissociation in bromomethane clusters.

    Rander, T., Lindblad, A., Bradeanu, I., Gunnar Öhrwall, Svensson, S. & Björneholm, O., 2014, I : Journal of Chemical Physics. 141, 22, 224305.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  22. 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, I : Journal of Chemical Physics. 130, 22

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  23. How nanochannel confinement affects the DNA melting transition within the Poland-Scheraga model.

    Reiter-Schad, M., Werner, E., Jonas Tegenfeldt, Mehlig, B. & Tobias Ambjörnsson, 2015, I : Journal of Chemical Physics. 143, 11, 115101.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  24. XPS Studies of Ru-Polypyridine Complexes for Solar Cell Applications

    Rensmo, H., Westermark, K., Södergren, S., Kohle, O., Petter Persson, Lunell, S. & Siegbahn, H., 1999, I : Journal of Chemical Physics. 111, 6, s. 2744-2750

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  25. Potential of mean force between charged colloids: Effect of dielectric discontinuities

    Rescic, J. & Linse, P., 2008, I : Journal of Chemical Physics. 129, 11

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  26. 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, I : Journal of Chemical Physics. 132, 8

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  27. Site-Selective Participator Decay of Core-Excited Butadiene

    Stacey Ristinmaa Sörensen, Osbourne, S. J., Ausmees, A., Kikas, A., Correia, N., Naves de Brito, A., Petter Persson & Lunell, S., 1996, I : Journal of Chemical Physics. 105, s. 10719-10724

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  28. Origin invariant approaches to the calculation of two-photon circular dichroism

    Rizzo, A., Jansik, B., Pedersen, T. & Agren, H., 2006, I : Journal of Chemical Physics. 125, 6

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  29. Implicit versus explicit solvent in free energy calculations of enzyme catalysis: Methyl transfer catalyzed by catechol O-methyltransferase

    Rod, T., Rydberg, P. & Ulf Ryde, 2006, I : Journal of Chemical Physics. 124, 17, 174503.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  30. Theoretical characterization of the lowest-energy absorption band of pyrrole

    Roos, B., Per-Åke Malmqvist, Molina, V., Serrano-Andres, L. & Merchan, M., 2002, I : Journal of Chemical Physics. 116, 17, s. 7526-7536

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  31. Analytical correlation functions for motion through diffusivity landscapes

    Felix Roosen-Runge, Bicout, D. J. & Barrat, J. L., 2016 maj 28, I : Journal of Chemical Physics. 144, 20, 204109.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  32. 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

  33. 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

  34. Monte Carlo simulations of oppositely charged macroions in solution

    Rydén, J., Magnus Ullner & Linse, P., 2005, I : Journal of Chemical Physics. 123, 3, s. 034909-1-034909-13

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  35. First passage times for a tracer particle in single file diffusion and fractional Brownian motion.

    Sanders, L. & Tobias Ambjörnsson, 2012, I : Journal of Chemical Physics. 136, 17, 175103.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  36. Structure of polyelectrolytes in 3 : 1 salt solutions

    Sarraguca, J. M. G., Marie Skepö, Pais, A. A. C. C. & Linse, P., 2003, I : Journal of Chemical Physics. 119, 23, s. 12621-12628

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  37. 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

  38. Tracing charge transfer in argon dimers by XUV-pump IR-probe experiments at FLASH

    Schmid, G., Schnorr, K., Augustin, S., Meister, S., Lindenblatt, H., Trost, F., Liu, Y., Miteva, T., Mathieu Gisselbrecht, Düsterer, S., Redlin, H., Treusch, R., Gokhberg, K., Kuleff, A. I., Cederbaum, L. S., Schröter, C. D., Pfeifer, T. & Moshammer, R., 2019 aug 28, I : Journal of Chemical Physics. 151, 8, 084314.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  39. Excited-state charge transfer dynamics in systems of aromatic adsorbates on TiO2 studied with resonant core techniques

    J Schnadt, O'Shea, JN., Patthey, L., Kjeldgaard, L., Ahlund, J., Nilson, K., Schiessling, J., Krempasky, J., Shi, M., Karis, O., Glover, C., Siegbahn, H., Mårtensson, N. & Bruhwiler, PA., 2003, I : Journal of Chemical Physics. 119, 23, s. 12462-12472

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  40. Using fluorescence detected two-dimensional spectroscopy to investigate initial exciton delocalization between coupled chromophores

    Schröter, M., Tõnu Pullerits & Kühn, O., 2018, I : Journal of Chemical Physics. 149, 11, 031835JCP.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  41. Analytical energy gradients for local second-order Moller-Plesset perturbation theory using density fitting approximations

    Schutz, M., Werner, H. J., Lindh, R. & Manby, F. R., 2004, I : Journal of Chemical Physics. 121, 2, s. 737-750

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  42. Combined treatment of relaxation and fluctuation dynamics in the calculation of two-dimensional electronic spectra.

    Seibt, J. & Tönu Pullerits, 2014, I : Journal of Chemical Physics. 141, 11, 114106.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  43. X-ray emission spectroscopy of bulk liquid water in "no-man's land".

    Sellberg, J. A., McQueen, T. A., Laksmono, H., Schreck, S., Beye, M., DePonte, D. P., Kennedy, B., Nordlund, D., Sierra, R. G., Schlesinger, D., Tokushima, T., Zhovtobriukh, I., Eckert, S., Segtnan, V. H., Ogasawara, H., Kubicek, K., Techert, S., Bergmann, U., Dakovski, G. L., Schlotter, W. F. & 6 andraHarada, Y., Bogan, M. J., Wernet, P., Föhlisch, A., Pettersson, L. G. M. & Nilsson, A., 2015, I : Journal of Chemical Physics. 142, 4, 044505.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  44. Electronic excited states of conjugated cyclic ketones and thioketones: A theoretical study

    Serrano-Andres, L., Pou-Amerigo, R., Fülscher, M. P. & Borin, AC., 2002, I : Journal of Chemical Physics. 117, 4, s. 1649-1659

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  45. Computation of conical intersections by using perturbation techniques

    Serrano-Andres, L., Merchan, M. & Lindh, R., 2005, I : Journal of Chemical Physics. 122, 10, s. 104107-1-104107-10

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  46. Dissociation of water on oxygen-covered Rh{111}

    Shavorskiy, A., Eralp, T., Ataman, E., Isvoranu, C., Joachim Schnadt, Andersen, J. N. & Held, G., 2009, I : Journal of Chemical Physics. 131, 21

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  47. The structure of liquid water up to 360 MPa from x-ray diffraction measurements using a high Q-range and from molecular simulation

    Skinner, L. B., Galib, M., Fulton, J. L., Mundy, C. J., Parise, J. B., Van-Thai Pham, Schenter, G. K. & Benmore, C. J., 2016 apr 7, I : Journal of Chemical Physics. 144, 13, 134504.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  48. Iron phthalocyanine on Cu(111): Coverage-dependent assembly and symmetry breaking, temperature-induced homocoupling, and modification of the adsorbate-surface interaction by annealing.

    Snezhkova, O., Bischoff, F., He, Y., Wiengarten, A., Chaudhary, S., Niclas Johansson, Karina Schulte, Jan Knudsen, Barth, J. V., Seufert, K., Auwärter, W. & Joachim Schnadt, 2016, I : Journal of Chemical Physics. 144, 9, 094702.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  49. Comparison of overlap-based models for approximating the exchange-repulsion energy

    Pär Söderhjelm, Gunnar Karlström & Ulf Ryde, 2006, I : Journal of Chemical Physics. 124, 24, 244101.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  50. Accuracy of typical approximations in classical models of intermolecular polarization.

    Pär Söderhjelm, Öhrn, A., Ulf Ryde & Gunnar Karlström, 2008, I : Journal of Chemical Physics. 128, 1, 014102.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift