Journal of Chemical Physics, 0021-9606

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  1. 2019
  2. 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, In : Journal of Chemical Physics. 151, 8, 084314.

    Research output: Contribution to journalArticle

  3. 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, In : Journal of Chemical Physics. 151, 7, 074701.

    Research output: Contribution to journalArticle

  4. 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, In : Journal of Chemical Physics. 151, 2, 024201.

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  6. 2018
  7. 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 othersJournel, 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, In : Journal of Chemical Physics. 149, 20, p. 204313

    Research output: Contribution to journalArticle

  8. Normal and resonant Auger spectroscopy of isocyanic acid, HNCO

    Holzmeier, F., Wolf, T. J. A., Gienger, C., Wagner, I., Bozek, J., Nandi, S., Nicolas, C., Fischer, I., Gühr, M. & Fink, R. F., 2018 Jul 21, In : Journal of Chemical Physics. 149, 3, 034308.

    Research output: Contribution to journalArticle

  9. Compressibility of the protein-water interface

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

    Research output: Contribution to journalArticle

  10. How proteins modify water dynamics

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

    Research output: Contribution to journalArticle

  11. Multiconfigurational short-range density-functional theory for open-shell systems

    Erik Donovan Hedegård, Toulouse, J. & Jensen, H. J. A., 2018 Jun 7, In : Journal of Chemical Physics. 148, 21, 214103.

    Research output: Contribution to journalArticle

  12. The geometry of protein hydration

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

    Research output: Contribution to journalArticle

  13. The spatial range of protein hydration

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

    Research output: Contribution to journalArticle

  14. 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 May 28, In : Journal of Chemical Physics. 148, 20, 204705.

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  16. Two-dimensional Fano lineshapes: Excited-state absorption contributions

    Daniel Finkelstein-Shapiro, Tõnu Pullerits & Hansen, T., 2018 May 14, In : Journal of Chemical Physics. 148, 18, 184201.

    Research output: Contribution to journalArticle

  17. 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, In : Journal of Chemical Physics. 148, 14, 144508.

    Research output: Contribution to journalArticle

  18. Short- and long-time diffusion and dynamic scaling in suspensions of charged colloidal particles

    Banchio, A. J., Heinen, M., Peter Holmqvist & Nägele, G., 2018 Apr 7, In : Journal of Chemical Physics. 148, 13, 134902.

    Research output: Contribution to journalArticle

  19. Cumulant expansions for measuring water exchange using diffusion MRI

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

    Research output: Contribution to journalArticle

  20. 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, In : Journal of Chemical Physics. 148, 6, 064106.

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  23. 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, In : Journal of Chemical Physics. 149, 19, 194102.

    Research output: Contribution to journalArticle

  24. Stochastic unfolding of nanoconfined DNA: Experiments, model and Bayesian analysis

    Jens Krog, Alizadehheidari, M., Werner, E., Bikkarolla, S. K., Jonas O. Tegenfeldt, Mehlig, B., Lomholt, M. A., Westerlund, F. & Tobias Ambjörnsson, 2018, In : Journal of Chemical Physics. 149, 21, 215101.

    Research output: Contribution to journalArticle

  25. 2017
  26. Photofragmentation of gas-phase acetic acid and acetamide clusters in the vacuum ultraviolet region

    Berholts, M., Myllynen, H., Kooser, K., Itälä, E., Granroth, S., Levola, H., Laksman, J., Oghbaiee, S., Oostenrijk, B., Nõmmiste, E. & Kukk, E., 2017 Nov 21, In : Journal of Chemical Physics. 147, 19, 194302.

    Research output: Contribution to journalArticle

  27. 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 Oct 7, In : Journal of Chemical Physics. 147, 13, 134705.

    Research output: Contribution to journalArticle

  28. Nuclear magnetic relaxation by the dipolar EMOR mechanism: Multi-spin systems

    Zhiwei Chang & Bertil Halle, 2017 Aug 28, In : Journal of Chemical Physics. 147, 8, 084203.

    Research output: Contribution to journalArticle

  29. 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, In : Journal of Chemical Physics. 147, 5, 054703.

    Research output: Contribution to journalArticle

  30. 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 othersMüller, 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, In : Journal of Chemical Physics. 147, 1, 013933.

    Research output: Contribution to journalArticle

  31. 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 May 21, In : Journal of Chemical Physics. 146, 19, 194302.

    Research output: Contribution to journalArticle

  32. 2016
  33. 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, In : Journal of Chemical Physics. 145, 23, 234510.

    Research output: Contribution to journalArticle

  34. 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, In : Journal of Chemical Physics. 145, 19, 194302.

    Research output: Contribution to journalArticle

  35. Microscopic origin of the charge transfer in single crystals based on thiophene derivatives: A combined NEXAFS and density functional theory approach

    Chernenkaya, A., Morherr, A., Backes, S., Popp, W., Witt, S., Kozina, X., Nepijko, S. A., Bolte, M., Medjanik, K., G. Öhrwall, Krellner, C., Baumgarten, M., Elmers, H. J., Schönhense, G., Jeschke, H. O. & Valentí, R., 2016 Jul 21, In : Journal of Chemical Physics. 145, 3, 034702.

    Research output: Contribution to journalArticle

  36. Nuclear magnetic relaxation by the dipolar EMOR mechanism: Three-spin systems

    Zhiwei Chang & Bertil Halle, 2016 Jul 21, In : Journal of Chemical Physics. 145, 3, 034202.

    Research output: Contribution to journalArticle

  37. Analytical correlation functions for motion through diffusivity landscapes

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

    Research output: Contribution to journalArticle

  38. Peptide folding in the presence of interacting protein crowders

    Bille, A., Mohanty, S. & Anders Irbäck, 2016 May 7, In : Journal of Chemical Physics. 144, 17, 175105.

    Research output: Contribution to journalArticle

  39. 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, In : Journal of Chemical Physics. 144, 13, 134504.

    Research output: Contribution to journalArticle

  40. 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, In : Journal of Chemical Physics. 144, 9, 094702.

    Research output: Contribution to journalArticle

  41. 2015
  42. 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, In : Journal of Chemical Physics. 142, 10, 101916.

    Research output: Contribution to journalArticle

  43. 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, In : Journal of Chemical Physics. 142, 21, 212414.

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

  46. 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, In : Journal of Chemical Physics. 143, 11, 114305.

    Research output: Contribution to journalArticle

  47. 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, In : Journal of Chemical Physics. 143, 11, 115101.

    Research output: Contribution to journalArticle

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

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

    Research output: Contribution to journalArticle

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