Journal of Chemical Physics, 0021-9606

Tidskrift

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  1. 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

  2. A 1 : 1 complex between a hydroxyl radical and ozone

    Anders Engdahl & Nelander, B., 2005, I : Journal of Chemical Physics. 122, 12

    Forskningsoutput: TidskriftsbidragLetter

  3. 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

  4. 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

  5. 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

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

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  8. 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

  9. Accurate ab initio density fitting for multiconfigurational self-consistent field methods.

    Aquilante, F., Pedersen, T., Lindh, R., Roos, B., Sánchez de Merás, A. & Koch, H., 2008, I : Journal of Chemical Physics. 129, 2, s. 024113-1-024113-8

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  10. A classical density functional theory for the asymmetric restricted primitive model of ionic liquids

    Lu, H., Nordholm, S., Woodward, C. E. & Jan Forsman, 2018 maj 21, I : Journal of Chemical Physics. 148, 19, 193814.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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, I : Journal of Chemical Physics. 134, 11, 114711.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  16. 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

  17. 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

  18. Adsorption of intact methanol on Ru(0001)

    Gazdzicki, P., Per Uvdal & Jakob, P., 2009, I : Journal of Chemical Physics. 130, 22, 224703.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  19. 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

  20. Alignment, orientation, and Coulomb explosion of difluoroiodobenzene studied with the pixel imaging mass spectrometry (PImMS) camera

    Amini, K., Boll, R., Lauer, A., Burt, M., Lee, J. W. L., Christensen, L., Brauβe, F., Mullins, T., Savelyev, E., Ablikim, U., Berrah, N., Bomme, C., Düsterer, S., Erk, B., Höppner, H., Johnsson, P., Kierspel, T., Krecinic, F., Küpper, J., Müller, M. & 16 andraMüller, E., Redlin, H., Rouzée, A., Schirmel, N., Thøgersen, J., Techert, S., Toleikis, S., Treusch, R., Trippel, S., Ulmer, A., Wiese, J., Vallance, C., Rudenko, A., Stapelfeldt, H., Brouard, M. & Rolles, D., 2017 jul 7, I : Journal of Chemical Physics. 147, 1, 013933.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  21. 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

  22. 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

  23. 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, I : Journal of Chemical Physics. 134, 11, 114710.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  24. A Monte Carlo study of solutions of oppositely charged polyelectrolytes

    Hayashi, Y., Magnus Ullner & Linse, P., 2002, I : Journal of Chemical Physics. 116, 15, s. 6836-6845

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  25. 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

  26. An ab initio investigation of the mechanisms of photodissociation in bromobenzene and iodobenzene

    Chen, S-F., Liu, F-Y. & Liu, Y-J., 2009, I : Journal of Chemical Physics. 131, 12

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  27. 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

  28. 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

  29. Analytic derivatives for the Cholesky representation of the two-electron integrals.

    Aquilante, F., Lindh, R. & Pedersen, T., 2008, I : Journal of Chemical Physics. 129, 3, s. 034106-1-034106-7

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  30. 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

  31. An improved density functional description of hard sphere polymer fluids at low density.

    Jan Forsman & Woodward, C. E., 2003, I : Journal of Chemical Physics. 119, 4, s. 1889-1892

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  32. Anomalous surface behavior of hydrated guanidinium ions due to ion pairing

    Ekholm, V., Vazdar, M., Mason, P. E., Bialik, E., Walz, M. M., Gunnar Öhrwall, Werner, J., Rubensson, J. E., Jungwirth, P. & Björneholm, O., 2018 apr 14, I : Journal of Chemical Physics. 148, 14, 144508.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  33. A simple model for the water o-H-2 complex

    Ceponkus, J. & Nelander, B., 2006, I : Journal of Chemical Physics. 124, 2

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  34. 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

  35. A theoretical investigation of valence and Rydberg electronic states of acrolein

    Aquilante, F., Barone, V. & Roos, B., 2003, I : Journal of Chemical Physics. 119, 23, s. 12323-12334

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  36. A theoretical study of the excited states of CrH: Potential energies, transition moments, and lifetimes

    Ghigo, G., Roos, B., Stancil, P. C. & Weck, P. F., 2004, I : Journal of Chemical Physics. 121, 17, s. 8194-8200

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  37. 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, I : Journal of Chemical Physics. 130, 15

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  38. Attraction between neutral dielectrics mediated by multivalent ions in an asymmetric ionic fluid

    Kanduc, M., Naji, A., Jan Forsman & Podgornik, R., 2012, I : Journal of Chemical Physics. 137, 17, 174704.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  39. A virtual vibrational self-consistent-field method for efficient calculation of molecular vibrational partition functions and thermal effects on molecular properties.

    Hansen, M. B., Christiansen, O., Toffoli, D. & Kongsted, J., 2008, I : Journal of Chemical Physics. 128, 17, s. 174106-1-174106-14

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  40. 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

  41. Breakdown of ionic character of molecular alkali bromides in inner-valence photoionization

    Karpenko, A., Iablonskyi, D., Samuli Urpelainen, Kettunen, J. A., Cao, W., Huttula, M. & Aksela, H., 2014, I : Journal of Chemical Physics. 140, 20, 204321.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  42. 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

  43. 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

  44. Carbon dioxide ion dissociations after inner shell excitation and ionization: The origin of site-specific effects.

    Eland, J. H. D., Zagorodskikh, S., Squibb, R. J., Mucke, M., Stacey Ristinmaa Sörensen & Feifel, R., 2014, I : Journal of Chemical Physics. 140, 18, 184305.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  45. 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

  46. Charged polymer membrane translocation

    T. Ambjörnsson, Apell, S. P., Konkoli, Z., Di Marzio, E. A. & Kasianowicz, J. J., 2002 aug 22, I : The Journal of chemical physics. 117, 8, s. 4063-4073

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  48. 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

  49. Coherence and population dynamics of chlorophyll excitations in FCP complex: Two-dimensional spectroscopy study.

    Butkus, V., Gelzinis, A., Augulis, R., Gall, A., Büchel, C., Robert, B., Donatas Zigmantas, Valkunas, L. & Abramavicius, D., 2015, I : Journal of Chemical Physics. 142, 21, 212414.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  50. 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

  51. 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

  52. 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

  53. 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

  54. Communication: THz absorption spectrum of the CO2-H2O complex: Observation and assignment of intermolecular van der Waals vibrations.

    Andersen, J., Heimdal, J., Mahler, D. W., Nelander, B. & Wugt Larsen, R., 2014, I : Journal of Chemical Physics. 140, 9, 091103.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  55. 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

  56. Competition between weak OH·π and CH·O hydrogen bonds: THz spectroscopy of the C2H2 - H2O and C2H4 - H2O complexes

    Andersen, J., Heimdal, J., Nelander, B. & Wugt Larsen, R., 2017 maj 21, I : Journal of Chemical Physics. 146, 19, 194302.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  57. 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

  58. 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

  59. Conformational Disorder and Energy Migration in MEH-PPV with Partially Broken Conjugation.

    Grage, M., Wood, P. W., Ruseckas, A., Tönu Pullerits, Mitchell, W., Burn, P. L., Samuel, I. D. W. & Villy Sundström, 2003, I : Journal of Chemical Physics. 118, 16, s. 7644-7650

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  60. 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

  61. 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

  62. 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

  63. 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

  64. Core localization and sigma( *) delocalization in the O 1s core-excited sulfur dioxide molecule.

    Lindgren, A., Kosugi, N., Mathieu Gisselbrecht, Kivimäki, A., Burmeister, F., Naves de Brito, A. & Stacey Ristinmaa Sörensen, 2008, I : Journal of Chemical Physics. 128, 11, 114311.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  65. 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

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

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  67. Coulomb explosion imaging of CH3I and CH2ClI photodissociation dynamics

    Allum, F., Burt, M., Amini, K., Boll, R., Köckert, H., Olshin, P. K., Bari, S., Bomme, C., Brauße, F., Cunha de Miranda, B., Düsterer, S., Erk, B., Géléoc, M., Geneaux, R., Gentleman, A. S., Goldsztejn, G., Guillemin, R., Holland, D. M. P., Ismail, I., Johnsson, P. & 30 andraJournel, L., Küpper, J., Jan Lahl, Lee, J. W. L., Sylvain Maclot, Mackenzie, S. R., Manschwetus, B., Mereshchenko, A. S., Mason, R., Palaudoux, J., Piancastelli, M. N., Penent, F., Rompotis, D., Rouzée, A., Ruchon, T., Rudenko, A., Savelyev, E., Simon, M., Schirmel, N., Stapelfeldt, H., Techert, S., Travnikova, O., Trippel, S., Underwood, J. G., Vallance, C., Wiese, J., Ziaee, F., Brouard, M., Marchenko, T. & Rolles, D., 2018 nov 28, I : Journal of Chemical Physics. 149, 20, s. 204313

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  68. Coupled folding-binding versus docking: A lattice model study

    Gupta, N. & Anders Irbäck, 2004, I : Journal of Chemical Physics. 120, 8, s. 3983-3989

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  69. Cross-relaxation between macromolecular and solvent spins: the role of long-range dipole couplings.

    Bertil Halle, 2003, I : Journal of Chemical Physics. 119, 23, s. 12372-12385

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  70. 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

  71. Density functional theories of surface interactions in salt solutions

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  72. Density functional theory for Yukawa fluids

    Hatlo, M. M., Banerjee, P., Jan Forsman & Lue, L., 2012, I : Journal of Chemical Physics. 137, 6, 064115.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  73. 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

  74. 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

  75. 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

  76. Diffusion of two particles with a finite interaction potential in one dimension

    Tobias Ambjörnsson & Silbey, R. J., 2008 okt 28, I : The Journal of chemical physics. 129, 16, s. 165103

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  77. Direct measurement of S-branch N(2)-H(2) Raman linewidths using time-resolved pure rotational coherent anti-Stokes Raman spectroscopy.

    Bohlin, A., Nordström, E., Patterson, B. D., Per-Erik Bengtsson & Kliewer, C. J., 2012, I : Journal of Chemical Physics. 137, 7, 074302.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  78. 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

  79. Dissimilar bouncy walkers

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  80. 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

  81. 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

  82. 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

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

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  84. Driving forces behind ion-ion correlations

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  85. 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, I : Journal of Chemical Physics. 131, 24, s. 244305-1-244305-4

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  86. 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

  87. 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

  88. 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

  89. 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

  90. Efficient configurational-bias Monte-Carlo simulations of chain molecules with “swarms” of trial configurations

    Niels Boon, 2018 aug 14, I : Journal of Chemical Physics. 149, 6, 064109.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  91. 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

  92. 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

  93. 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

  94. 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

  95. 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

  96. Electronic structure of a vapor-deposited metal-free phthalocyanine thin film

    Alfredsson, Y., Brena, B., Nilson, K., Ahlund, J., Kjeldgaard, L., Nyberg, M., Luo, Y., Mårtensson, N., Sandell, A., Puglia, C. & Siegbahn, H., 2005, I : Journal of Chemical Physics. 122, 21

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  97. 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, I : Journal of Chemical Physics. 131, 21, 214709.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  98. Electrostatics in the presence of spherical dielectric discontinuities.

    Linse, P., 2008, I : Journal of Chemical Physics. 128, 21, 214505.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  99. Equation of state for Eu-doped SrSi2O2N2

    Ermakova, O., Paszkowicz, W., Kaminska, A., Barzowska, J., Szczodrowski, K., Grinberg, M., Minikayev, R., Nowakowska, M., Stefan Carlson, Li, G., Liu, R-S. & Suchocki, A., 2014, I : Journal of Chemical Physics. 141, 1, 014705.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  100. Equilibrium simulation of trp-cage in the presence of protein crowders.

    Bille, A., Linse, B., Mohanty, S. & Anders Irbäck, 2015, I : Journal of Chemical Physics. 143, 17, 175102.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  101. Evaluating the accuracy of a density functional theory of polymer solutions with additive hard sphere diameters

    Jan Forsman & Woodward, C. E., 2004, I : Journal of Chemical Physics. 120, 1, s. 506-510

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  102. 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

  103. 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

  104. Exact-exchange kernel of time-dependent density functional theory: Frequency dependence and photoabsorption spectra of atoms

    Hellgren, M. & Ulf von Barth, 2009, I : Journal of Chemical Physics. 131, 4, 044110.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  105. 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

  106. 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

  107. Excitonic coupling in polythiophenes: Comparison of different calculation methods

    Beenken, W. & Tönu Pullerits, 2004, I : Journal of Chemical Physics. 120, 5, s. 2490-2495

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  108. 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

  109. Experimental investigation of the Rb-85(2) a (3)Sigma(+)(u) triplet ground state: Multiparameter Morse long range potential analysis

    Beser, B., Sovkov, V. B., Bai, J., Ahmed, E. H., Tsai, C. C., Xie, F., Li, L., Ivanov, V. S. & Lyyra, M., 2009, I : Journal of Chemical Physics. 131, 9

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  110. 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

  111. Fast noniterative orbital localization for large molecules

    Aquilante, F., Pedersen, T., Sanchez de Meras, A. & Koch, H., 2006, I : Journal of Chemical Physics. 125, 17

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  112. 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

  113. Field ionization of high-Rydberg fragments produced after inner-shell photoexcitation and photoionization of the methane molecule

    Kivimaki, A., Sankari, A., Kettunen, J. A., Stråhlman, C., Ruiz, J. A. & Richter, R., 2015, I : Journal of Chemical Physics. 143, 11, 114305.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  114. 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

  115. 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

  116. 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

  117. 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

  118. Green's function for a spherical dielectric discontinuity and its application to simulation

    Linse, P. & Lue, L., 2014, I : Journal of Chemical Physics. 140, 4, 044903.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  119. 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

  120. 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

  121. 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

  122. Hybrid Monte Carlo simulation of polymer chains

    A. Irbäck, 1994, I : Journal of Chemical Physics. 101, 2, s. 1661-1667 7 s.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  123. Hybrid Monte Carlo with non-uniform step size

    Holzgräfe, C., Bhattacherjee, A. & Anders Irbäck, 2014, I : Journal of Chemical Physics. 140, 4, 044105.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  124. 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

  125. Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections

    Hald, K., Jorgensen, P., Christiansen, O. & Koch, H., 2002, I : Journal of Chemical Physics. 116, 14, s. 5963-5970

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  126. 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

  127. 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

  128. Influence of formation path on the CH2BrCl2+ dissociation dynamics

    Le Guen, K., Ahmad, M., Céolin, D., Lablanquie, P., Miron, C., Penent, F., Morin, P. & Simon, M., 2005, I : Journal of Chemical Physics. 123, 8

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  129. 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

  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. 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

  132. Interaction between colloids with grafted diblock polyampholytes

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  133. Interface electronic states and molecular structure of a triarylamine based hole conductor on rutile TiO2(110).

    Johansson, E. M. J., Odelius, M., Karlsson, P. G., Siegbahn, H., Sandell, A. & Rensmo, H., 2008, I : Journal of Chemical Physics. 128, 18, 184709.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  134. Interfacial properties of the nanostructured dye-sensitized solid heterojunction TiO2/RuL2(NCS)(2)/CuI

    Karlsson, P. G., Bolik, S., Richter, J. H., Mahrov, B., Johansson, E. M. J., Blomquist, J., Per Uvdal, Rensmo, H., Siegbahn, H. & Sandell, A., 2004, I : Journal of Chemical Physics. 120, 23, s. 11224-11232

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  135. Intermolecular vibrations of different isotopologs of the water dimer: Experiments and density functional theory calculations.

    Ceponkus, J., Per Uvdal & Nelander, B., 2008, I : Journal of Chemical Physics. 129, 19, 194306.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  136. 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

  137. 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

  138. Ion pairing and phase behaviour of an asymmetric restricted primitive model of ionic liquids

    Lu, H., Li, B., Nordholm, S., Woodward, C. E. & Jan Forsman, 2016 dec 21, I : Journal of Chemical Physics. 145, 23, 234510.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  139. 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

  140. 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

  141. 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

  142. 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

  143. 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

  144. 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

  145. Lifetime and predissociation yield of N-14(2) b (1)Pi(u)(v=1) revisited: Effects of rotation

    Lewis, BR., Gibson, ST., Sprengers, JP., Ubachs, W., Johansson, A. & Claes-Göran Wahlström, 2005, I : Journal of Chemical Physics. 123, 23

    Forskningsoutput: TidskriftsbidragLetter

  146. Linear response functions for coupled cluster/molecular mechanics including polarization interactions.

    Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O., 2003, I : Journal of Chemical Physics. 118, 4, s. 1620-1633

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  147. Linear scaling multireference singles and doubles configuration interaction.

    Chwee, T. S., Szilva, A. B., Lindh, R. & Carter, E. A., 2008, I : Journal of Chemical Physics. 128, 22, s. 224106-224106-9

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  148. Local interactions and protein folding: A model study on the square and triangular lattices

    Anders Irbäck & Sandelin, E., 1998 feb 1, I : Journal of Chemical Physics. 108, 5, s. 2245-2250 6 s.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift