Journal of Chemical Physics, 0021-9606

Tidskrift

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  1. One-dimensional arrays of nanoshell dimers for single molecule spectroscopy via surface-enhanced raman scattering

    Zhao, K., Xu, H., Gu, B. & Zhang, Z., 2006, I : Journal of Chemical Physics. 125, 8, 081102.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  2. Icosahedral capsid formation by capsomers and short polyions.

    Zhang, R. & Linse, P., 2013, I : Journal of Chemical Physics. 138, 15, 154901.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  3. Topological effects on capsomer-polyion co-assembly

    Zhang, R. & Linse, P., 2014, I : Journal of Chemical Physics. 140, 24, 244903.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  4. Alloying and oxidation of in situ produced core-shell Al@Yb nanoalloy particles-An "on-the-fly" study.

    Zhang, C., Andersson, T., Mikko-Heikki Mikkelä, Mårsell, E., Björneholm, O., Xu, X., Maxim Tchaplyguine & Liu, Z., 2014, I : Journal of Chemical Physics. 141, 8, 084302.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  5. The photoelectron angular distribution of water clusters

    Zhang, C., Andersson, T., Foerstel, M., Mucke, M., Arion, T., Maxim Tchaplyguine, Bjorneholm, O. & Hergenhahn, U., 2013, I : Journal of Chemical Physics. 138, 23, 234306.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  6. 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, I : Journal of Chemical Physics. 134, 12, 124507.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  7. Electronic ground state of Ni 2 +

    Zamudio-Bayer, V., Lindblad, R., Bülow, C., Leistner, G., Terasaki, A., Issendorff, B. V. & Lau, J. T., 2016 nov 21, I : Journal of Chemical Physics. 145, 19, 194302.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  8. The predissociation of highly excited states in acetylene by time-resolved photoelectron spectroscopy

    Zamith, S., Blanchet, V., Girard, B., Andersson, J., Stacey Ristinmaa Sörensen, Hjelte, I., Bjorneholm, O., Gauyacq, D., Norin, J., Johan Mauritsson & Anne L'Huillier, 2003, I : Journal of Chemical Physics. 119, 7, s. 3763-3773

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  9. Colloidal gelation with variable attraction energy

    Zaccone, A., Jerome Crassous & Ballauff, M., 2013, I : Journal of Chemical Physics. 138, 10, 104908.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  10. Inhomogeneous charge transfer within monolayer zinc phthalocyanine absorbed on TiO2(110)

    Yu, S., Ahmadi, S., Sun, C., Adibi, P. T. Z., Chow, W., Pietzsch, A. & Gothelid, M., 2012, I : Journal of Chemical Physics. 136, 15

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  11. 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, I : Journal of Chemical Physics. 133, 22, 224704.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  12. 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, I : Journal of Chemical Physics. 130, 23, 234705.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  13. 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, I : Journal of Chemical Physics. 134, 3, 031103.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  14. Many-body interactions between particles in a polydisperse polymer fluid

    Woodward, C. E. & Jan Forsman, 2012, I : Journal of Chemical Physics. 136, 8

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  16. Efficient solution of the self-consistent field theory for block copolymer fluids displaying Schulz-Flory polydispersity

    Woodward, C. E. & Jan Forsman, 2009, I : Journal of Chemical Physics. 130, 24

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  17. Exact density functional theory for ideal polymer fluids with nearest neighbor bonding constraints

    Woodward, C. E. & Jan Forsman, 2008, I : Journal of Chemical Physics. 129, 5, 054902.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  18. Theoretical study of the unusual potential energy curve of the A (1)Sigma(+) state of AgH

    Witek, HA., Fedorov, DG., Hirao, K., Viel, A. & Per-Olof Widmark, 2002, I : Journal of Chemical Physics. 116, 19, s. 8396-8406

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  19. Free volume dilatation in polymers by ortho-positronium.

    Winberg, P., Eldrup, M. & Maurer, F., 2012, I : Journal of Chemical Physics. 136, 24, 244902.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  20. Core excitation in O-3 localized to one of two symmetry-equivalent chemical bonds: Molecular alignment through vibronic coupling

    Wiesner, K., de Brito, A. N., Stacey Ristinmaa Sörensen, Kosugi, N. & Bjorneholm, O., 2005, I : Journal of Chemical Physics. 122, 15, 154303.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  21. New compact density matrix averaged ANO basis sets for relativistic calculations

    Per Olof Widmark, J. Patrick Zobel, Vysotskiy, V. P., Tsuchiya, T. & Valera Veryazov, 2018, I : Journal of Chemical Physics. 149, 19, 194102.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  22. Exciton migration in a polythiophene: Probing the spatial and energy domain by line-dipole Forster-type energy transfer

    Westenhoff, S., Daniel, C., Friend, R. H., Silva, C., Villy Sundström & Arkady Yartsev, 2005, I : Journal of Chemical Physics. 122, 9, s. 094903-1-094903-8

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  23. Conformational disorder of conjugated polymers

    Westenhoff, S., Beenken, W. J. D., Arkady Yartsev & Greenham, N. C., 2006, I : Journal of Chemical Physics. 125, 15

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  24. Exact evaluation of the depletion force between nanospheres in a polydisperse polymer fluid under Θ conditions.

    Wang, H., Woodward, C. E. & Jan Forsman, 2014, I : Journal of Chemical Physics. 140, 19, 194903.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  25. 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, I : Journal of Chemical Physics. 131, 15

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  26. Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex

    van der Avoird, A., Pedersen, T., Dhont, GSF., Fernandez, B. & Koch, H., 2006, I : Journal of Chemical Physics. 124, 20

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  27. Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules.

    Van den Bossche, M., Martin, N., Johan Gustafson, Hakanoglu, C., Weaver, J. F., Edvin Lundgren & Grönbeck, H., 2014, I : Journal of Chemical Physics. 141, 3, 034706.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  28. The C1s and N1 near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase

    Gemma Vall-llosera, Bin, G., Kivimäki, A., Coreno, M., Álvarez Ruiz, J., de Simone, M., Ågren, H. & Rachlew, E., 2008, I : Journal of Chemical Physics. 128, 044316-1.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  29. The electrostatic persistence length calculated from Monte Carlo, variational and perturbation methods

    Magnus Ullner, Bo Jönsson, Peterson, C., Sommelius, O. & Bo Söderberg, 1997 jul 22, I : Journal of Chemical Physics. 107, 4, s. 1279-1287 9 s.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  30. A Monte Carlo study of titrating polyelectrolytes

    Magnus Ullner, Bo Jönsson, Bo Söderberg & Peterson, C., 1996, I : Journal of Chemical Physics. 104, 8, s. 3048-3057 10 s.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  31. A Debye–Hückel theory for electrostatic interactions in proteins

    Magnus Ullner, Woodward, C. E. & Bo Jönsson, 1996, I : Journal of Chemical Physics. 105, 5, s. 2056-2065 10 s.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  33. Diffusion damping during adiabatic z-rotation pulses for NMR spectroscopy in inhomogeneous magnetic fields

    Daniel Topgaard & Sakellariou, D., 2006, I : Journal of Chemical Physics. 125, 4

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  34. Dielectric response from lattices of dipoles with fixed orientation.

    Thuresson, A. & Gunnar Karlström, 2014, I : Journal of Chemical Physics. 141, 23, 234505.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  35. Grain boundary melting in ice

    Thomson, E. S., Hansen-Goos, H., Wettlaufer, J. S. & Wilen, L. A., 2013, I : Journal of Chemical Physics. 138, 12, s. 124707-124707

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  36. 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, I : Journal of Chemical Physics. 133, 17, 174312.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  37. Coarse-grained model of titrating peptides interacting with lipid bilayers

    Giulio Tesei, Vazdar, M. & Mikael Lund, 2018, I : The Journal of chemical physics. 149, 24, 244108.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  38. 1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces.

    Temprano, I., Thomas, G., Haq, S., Dyer, M. S., Latter, E. G., Darling, G. R., Per Uvdal & Raval, R., 2015, I : Journal of Chemical Physics. 142, 10, 101916.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  39. Adsorption and charge transfer interactions of bi-isonicotinic acid on Ag(111)

    Temperton, R. H., Gibson, A. J., Handrup, K. & O'Shea, J. N., 2017 aug 7, I : Journal of Chemical Physics. 147, 5, 054703.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  40. Resonant inelastic X-ray scattering of a Ru photosensitizer: Insights from individual ligands to the electronic structure of the complete molecule

    Temperton, R. H., Skowron, S. T., Handrup, K., Gibson, A. J., Nicolaou, A., Jaouen, N., Besley, E. & O'Shea, J. N., 2019 aug 21, I : Journal of Chemical Physics. 151, 7, 074701.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  41. Core-shell structure disclosed in self-assembled Cu-Ag nanoalloy particles.

    Maxim Tchaplyguine, Andersson, T., Zhang, C. & Björneholm, O., 2013, I : Journal of Chemical Physics. 138, 10, 104303.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  42. 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

  43. The size of neutral free clusters as manifested in the relative bulk-to-surface intensity in core level photoelectron spectroscopy

    Maxim Tchaplyguine, Marinho, R., Mathieu Gisselbrecht, Schulz, J., Mårtensson, N., Stacey Ristinmaa Sörensen, de Brito, AN., Feifel, R., Ohrwall, G., Lundwall, M., Svensson, S. & Bjorneholm, O., 2004, I : Journal of Chemical Physics. 120, 1, s. 345-356

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  44. The adsorption and charge transfer dynamics of bi-isonicotinic acid on Au(111)

    Taylor, J. B., Mayor, L. C., Swarbrick, J. C., O'Shea, J. N., Isvoranu, C. & Joachim Schnadt, 2007, I : Journal of Chemical Physics. 127, 13, 134707.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  45. Control of structure and photophysical properties by protonation and subsequent intramolecular hydrogen bonding

    Sun, M., 2006, I : Journal of Chemical Physics. 124, 5

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  46. 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

  47. Sulfur K-edge photofragmentation of ethylene sulfide

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  48. 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, I : Journal of Chemical Physics. 131, 17, 174306.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  49. Surface x-ray study of the structure and morphology of the oxidized Pd(001) surface

    Stierle, A., Kasper, N., Dosch, H., Edvin Lundgren, Johan Gustafson, Anders Mikkelsen & Andersen, J. N., 2005, I : Journal of Chemical Physics. 122, 4, 044706.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  50. Direct summation of dipole-dipole interactions using the Wolf formalism

    Stenqvist, B., Trulsson, M., Abrikossov, A. & Mikael Lund, 2015, I : Journal of Chemical Physics. 143, 1, 014109.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  51. Bulk simulation of polar liquids in spherical symmetry.

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  52. Electric multipole moment fluctuations in polar liquids.

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  53. Nondielectric long-range solvation of polar liquids in cubic symmetry

    Joakim Stenhammar, Linse, P. & Gunnar Karlström, 2009, I : Journal of Chemical Physics. 131, 16, 164507.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  54. A linear response approach to second-order electronic transition intensities for multiconfigurational self-consistent field wave functions

    Stålring, J., Bernhardsson, A. & Per-Åke Malmqvist, 2002, I : Journal of Chemical Physics. 117, 3, s. 1010-1016

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  55. Lifetime and predissociation yield of N-14(2) b (1)Pi(u)(v=1)

    Sprengers, JP., Johansson, A., Ubachs, W., Anne L'Huillier, Claes-Göran Wahlström, Lang, R., Lewis, BR. & Gibson, ST., 2004, I : Journal of Chemical Physics. 120, 19, s. 8973-8978

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  56. Polymer distribution in connected spherical domains

    Sousa, A. F., Pais, A. A. C. C. & Linse, P., 2005, I : Journal of Chemical Physics. 122, 21, s. 214902-1-214902-8

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  57. Femtosecond pump-probe photoelectron spectroscopy of predissociative Rydberg states in acetylene

    S. L. Sorensen, Björneholm, O., Hjelte, I., Kihlgren, T., G. Öhrwall, Sundin, S., Svensson, S., Buil, S., Descamps, D., A. L'Huillier, Norin, J. & C. G. Wahlström, 2000 maj 8, I : Journal of Chemical Physics. 112, 18, s. 8038-8042 5 s.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  58. 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

  59. 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

  60. 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., Johansson, N., 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

  61. 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

  62. 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

  63. 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

  64. 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

  65. 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 andra, Harada, 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

  66. 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

  67. 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

  68. 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

  69. 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

  70. 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

  71. 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

  72. 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

  73. 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

  74. 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

  75. 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

  76. 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

  77. 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

  78. 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

  79. 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

  80. 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

  81. 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

  82. 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

  83. 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

  84. 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

  85. 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

  86. 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

  87. 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

  88. 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

  89. 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

  90. 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

  91. 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

  92. 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

  93. 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

  94. 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

  95. 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

  96. 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

  97. 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

  98. 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

  99. 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

  100. 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

  101. 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

  102. 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

  103. 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

  104. 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

  105. 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

  106. 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

  107. 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

  108. Solvation at nanoscale: Alkali-halides in water clusters

    Partanen, L., Mikkela, M-H., Huttula, M., Maxim Tchaplyguine, Zhang, C., Andersson, T. & Bjorneholm, O., 2013, I : Journal of Chemical Physics. 138, 4, 044301.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  109. Changing adsorption mode of FePc on TiO2(110) by surface modification with bipyridine

    Palmgren, P., Yu, S., Franz Hennies, Nilson, K., Akermark, B. & Gothelid, M., 2008, I : Journal of Chemical Physics. 129, 7, 074707.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  110. Potential pitfalls of the early-time dynamics in two-dimensional electronic spectroscopy

    Paleček, D., Edlund, P., Gustavsson, E., Westenhoff, S. & Donatas Zigmantas, 2019 jul 10, I : Journal of Chemical Physics. 151, 2, 024201.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  111. Polyelectrolytes confined to spherical cavities

    Pais, AACC., Miguel, MG., Linse, P. & Björn Lindman, 2002, I : Journal of Chemical Physics. 117, 3, s. 1385-1394

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  112. 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, I : Journal of Chemical Physics. 131, 12

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  113. Exploring ultra-fast charge transfer and vibronic coupling with N 1s RIXS maps of an aromatic molecule coupled to a semiconductor

    O'Shea, J. N., Handrup, K., Temperton, R. H., Gibson, A. J., Nicolaou, A. & Jaouen, N., 2017 okt 7, I : Journal of Chemical Physics. 147, 13, 134705.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  114. Ultra-fast intramolecular vibronic coupling revealed by RIXS and RPES maps of an aromatic adsorbate on TiO2(110)

    O'Shea, J. N., Handrup, K., Temperton, R. H., Gibson, A. J., Nicolaou, A., Jaouen, N., Taylor, J. B., Mayor, L. C., Swarbrick, J. C. & Joachim Schnadt, 2018 maj 28, I : Journal of Chemical Physics. 148, 20, 204705.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  115. X-ray photoelectron spectroscopy of low surface concentration mass-selected Ag clusters

    O'Shea, J. N., Joachim Schnadt, Andersson, S., Patthey, L., Rost, S., Giertz, A., Brena, B., Forsell, J. O., Sandell, A., Björneholm, O., Brühwiler, P. A. & Mårtensson, N., 2000 nov 1, I : Journal of Chemical Physics. 113, 20, s. 9233-9238 6 s.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  116. Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects

    Olsen, L., Christiansen, O., Hemmingsen, L., Sauer, SPA. & Mikkelsen, KV., 2002, I : Journal of Chemical Physics. 116, 4, s. 1424-1434

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  117. The electronic structure of free water clusters probed by Auger electron spectroscopy

    Ohrwall, G., Fink, RF., Maxim Tchaplyguine, Ojamae, L., Lundwall, M., Marinho, RRT., de Brito, AN., Stacey Ristinmaa Sörensen, Mathieu Gisselbrecht, Feifel, R., Rander, T., Lindblad, A., Schulz, J., Saethre, LJ., Mårtensson, N., Svensson, S. & Bjorneholm, O., 2005, I : Journal of Chemical Physics. 123, 5, 054310.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  118. Cumulant expansions for measuring water exchange using diffusion MRI

    Ning, L., Markus Nilsson, Lasič, S., Westin, C. F. & Rathi, Y., 2018 feb 21, I : Journal of Chemical Physics. 148, 7, 074109.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  119. Markov modeling of peptide folding in the presence of protein crowders

    Daniel Nilsson, Mohanty, S. & Anders Irbäck, 2018 feb 7, I : Journal of Chemical Physics. 148, 5, 055101.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  120. Potassium-intercalated H2Pc films: Alkali-induced electronic and geometrical modifications

    Nilson, K., Ahlund, J., Shariati, M. -N., Schiessling, J., Palmgren, P., Brena, B., Gothelid, E., Franz Hennies, Huismans, Y., Evangelista, F., Rudolf, P., Gothelid, M., Mårtensson, N. & Puglia, C., 2012, I : Journal of Chemical Physics. 137, 4

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  121. 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

  122. Dynamics of water molecules in an alkaline environment

    Nienhuys, H-K., Lock, AJ., van Santen, RA. & Bakker, HJ., 2002, I : Journal of Chemical Physics. 117, 17, s. 8021-8029

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  123. Many-body effects in a binary nano-particle mixture dispersed in ideal polymer solutions

    Nguyen, H. S., Jan Forsman & Woodward, C. E., 2019, I : Journal of Chemical Physics. 150, 4, 044906.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  124. 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, I : Journal of Chemical Physics. 133, 9

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  125. Mechanism of CO oxidation reaction on O-covered Pd(111) surfaces studied with fast x-ray photoelectron spectroscopy: Change of reaction path accompanying phase transition of O domains

    Nakai, I., Kondoh, H., Shimada, T., Resta, A., Andersen, J. N. & Ohta, T., 2006, I : Journal of Chemical Physics. 124, 22, 224712.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  126. Perspective: Coulomb fluids-Weak coupling, strong coupling, in between and beyond

    Naji, A., Kanduc, M., Jan Forsman & Podgornik, R., 2013, I : Journal of Chemical Physics. 139, 15

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  127. A theoretical and experimental benchmark study of core-excited states in nitrogen

    Myhre, R. H., Wolf, T. J. A., Cheng, L., Nandi, S., Coriani, S., Gühr, M. & Koch, H., 2018 feb 14, I : Journal of Chemical Physics. 148, 6, 064106.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  128. Effective interactions between soft-repulsive colloids: Experiments, theory, and simulations.

    Mohanty, P., Paloli, D., Jerome Crassous, Zaccarelli, E. & Peter Schurtenberger, 2014, I : Journal of Chemical Physics. 140, 9, 094901.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  129. Core excitations of naphthalene: Vibrational structure versus chemical shifts

    Minkov, I., Gel'mukhanov, F., Friedlein, R., Osikowicz, W., Suess, C., Ohrwall, G., Stacey Ristinmaa Sörensen, Braun, S., Murdey, R., Salaneck, WR. & Agren, H., 2004, I : Journal of Chemical Physics. 121, 12, s. 5733-5739

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  130. Influence of structure in heterodyne electrophoretic light scattering.

    Medebach, M., 2012, I : Journal of Chemical Physics. 136, 4, 044201.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  131. Photoemission, resonant photoemission, and x-ray absorption of a Ru(II) complex adsorbed on rutile TiO2 (110) prepared by in situ electrospray deposition

    Mayor, L. C., Ben Taylor, J., Magnano, G., Rienzo, A., Satterley, C. J., O'Shea, J. N. & Joachim Schnadt, 2008, I : Journal of Chemical Physics. 129, 11

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  132. Adsorption of a Ru(II) dye complex on the Au(111) surface: Photoemission and scanning tunneling microscopy

    Mayor, L. C., Saywell, A., Magnano, G., Satterley, C. J., Joachim Schnadt & O'Shea, J. N., 2009, I : Journal of Chemical Physics. 130, 164704.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  134. 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

  135. 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

  136. Elucidation of the photoaquation reaction mechanism in ferrous hexacyanide using synchrotron x-rays with sub-pulse-duration sensitivity

    March, A. M., Doumy, G., Andersen, A., Al Haddad, A., Kumagai, Y., Tu, M. F., Bang, J., Bostedt, C., Jens Uhlig, Nascimento, D. R., Assefa, T. A., Németh, Z., Vankó, G., Gawelda, W., Govind, N. & Young, L., 2019, I : Journal of Chemical Physics. 151, 14, 144306.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  137. 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

  138. Influence of ion pairing in ionic liquids on electrical double layer structures and surface force using classical density functional approach.

    Ma, K., Jan Forsman & Woodward, C. E., 2015, I : Journal of Chemical Physics. 142, 17, 174704.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  139. 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

  140. Preferential site occupancy of krypton atoms on free argon-cluster surfaces

    Lundwall, M., Lindblad, A., Bergersen, H., Rander, T., Ohrwall, G., Maxim Tchaplyguine, Svensson, S. & Bjorneholm, O., 2006, I : Journal of Chemical Physics. 125, 1

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  141. 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

  142. Driving forces behind ion-ion correlations

    Mikael Lund & Bo Jönsson, 2006, I : Journal of Chemical Physics. 125, 23

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  143. Ions confined in spherical dielectric cavities modeled by a splitting field-theory.

    Lue, L. & Linse, P., 2015, I : Journal of Chemical Physics. 142, 14, 144902.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift