Journal of Chemical Physics, 0021-9606

Tidskrift

Fler filtreringsmöjligheter
  1. Nuclear magnetic relaxation by the dipolar EMOR mechanism: Multi-spin systems

    Chang, Z. & Bertil Halle, 2017 aug 28, I : Journal of Chemical Physics. 147, 8, 084203.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  2. 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

  3. 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, I : Journal of Chemical Physics. 145, 3, 034702.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  4. Weakly chirped pulses in frequency resolved coherent spectroscopy.

    Christensson, N., Avlasevich, Y., Arkady Yartsev, Müllen, K., Torbjörn Pascher & Tönu Pullerits, 2010, I : Journal of Chemical Physics. 132, 17, s. 174508-1-174508-10

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  5. Probing the strength of the system-bath interaction by three-pulse photon echoes.

    Christensson, N., Dietzek, B., Arkady Yartsev & Tönu Pullerits, 2009, I : Journal of Chemical Physics. 130, 2, 024510.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  6. Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H2O

    Christiansen, O., Ruden, TA., Ruud, K. & Helgaker, T., 2002, I : Journal of Chemical Physics. 116, 19, s. 8334-8342

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  7. 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

  8. On the electric field gradient induced birefringence and electric quadrupole moment of CO, N2O, and OCS.

    Coriani, S., Halkier, A., Jonsson, D., Gauss, J., Rizzo, A. & Christiansen, O., 2003, I : Journal of Chemical Physics. 118, 16, s. 7329-7339

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  9. Variational second-order Moller-Plesset theory based on the Luttinger-Ward functional

    Dahlen, N-E. & Ulf von Barth, 2004, I : Journal of Chemical Physics. 120, 15, s. 6826-6831

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  10. Optimization schemes for efficient multiple exciton generation and extraction in colloidal quantum dots

    Damtie, F. A., Khadga J. Karki, Tönu Pullerits & Andreas Wacker, 2016 aug 14, I : Journal of Chemical Physics. 145, 6, 064703.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  11. Ultrafast charge transfer and atomic orbital polarization

    Deppe, M., Foehlisch, A., Franz Hennies, Sanchez-Portal, D., Echenique, P. M. & Wurth, W., 2007, I : Journal of Chemical Physics. 127, 17

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  12. Modeling of DNA compaction by polycations

    Dias, R., Pais, A. A. C. C., Miguel, M. & Björn Lindman, 2003, I : Journal of Chemical Physics. 119, 15, s. 8150-8157

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  13. Unraveling the nature of coherent beatings in chlorosomes.

    Dostal, J., Mančal, T., Vácha, F., Pšenčík, J. & Donatas Zigmantas, 2014, I : Journal of Chemical Physics. 140, 11, 115103.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  14. 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

  15. 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

  16. The water-hydroxyl radical complex: A matrix isolation study.

    Anders Engdahl, Gunnar Karlström & Nelander, B., 2003, I : Journal of Chemical Physics. 118, 17, s. 7797-7802

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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

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

    Forskningsoutput: TidskriftsbidragLetter

  18. 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

  19. Monte Carlo update for chain molecules: Biased Gaussian steps in torsional space

    Favrin, G., Anders Irbäck & Sjunnesson, F., 2001, I : Journal of Chemical Physics. 114, 8, s. 8154-8158

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  22. Model-free estimation of the effective correlation time for C-H bond reorientation in amphiphilic bilayers: (1)H-(13)C solid-state NMR and MD simulations.

    Ferreira, T., Ollila, S., Pigliapochi, R., Dabkowska, A. & Daniel Topgaard, 2015, I : Journal of Chemical Physics. 142, 4, 044905.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  24. Non-Markovian effects in the first-passage dynamics of obstructed tracer particle diffusion in one-dimensional systems.

    Forsling, R., Sanders, L., Tobias Ambjörnsson & Lizana, L., 2014, I : Journal of Chemical Physics. 141, 9, 094902.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  25. 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

  26. Surface forces in polymer fluids: A comparison between simulations and density functional theory

    Jan Forsman, Broukhno, A., Bo Jönsson & Åkesson, T., 2004, I : Journal of Chemical Physics. 120, 1, s. 413-416

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  27. Density functional theories of surface interactions in salt solutions

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

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  28. 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

  29. Local properties of quantum chemical systems: The LoProp approach

    Gagliardi, L., Lindh, R. & Gunnar Karlström, 2004, I : Journal of Chemical Physics. 121, 10, s. 4494-4500

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  30. Structural analysis of ultrafast extended x-ray absorption fine structure with subpicometer spatial resolution: Application to spin crossover complexes

    Gawelda, W., Van Der Veen, R. M., Grolimund, D., Abela, R., Chergui, M., Bressler, C. & Van-Thai Pham, 2009 apr 8, I : Journal of Chemical Physics. 130, 12, 124520.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  31. 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

  32. Picosecond calorimetry: time-resolved x-ray diffraction studies of liquid CH2Cl2

    Georgiou, P., Vincent, J., Andersson, M., Wöhri, A. B., Pontus Gourdon, Poulsen, J., Davidsson, J. & Neutze, R., 2006 jun 21, I : Journal of Chemical Physics. 124, 23, s. 1-9 234507.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  33. 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

  34. Size dependent fragmentation of argon clusters in the soft x-ray ionization regime.

    Mathieu Gisselbrecht, Lindgren, A., Burmeister, F., Maxim Tchaplyguine, Ohrwall, G., Lundin, M., de Brito, A. N., Svensson, S., Björneholm, O. & Stacey Ristinmaa Sörensen, 2008, I : Journal of Chemical Physics. 128, 4, 044317.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  35. Photon energy dependence of fragmentation of small argon clusters

    Mathieu Gisselbrecht, Lindgren, A., Maxim Tchaplyguine, Burmeister, F., Ohrwall, G., Lundwall, M., Lundin, M., Marinho, RRT., de Brito, AN., Svensson, S., Bjorneholm, O. & Stacey Ristinmaa Sörensen, 2005, I : Journal of Chemical Physics. 123, 19, 194301.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  36. 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

  37. 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

  38. 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

  39. 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

  40. The physical basis of model-free analysis of NMR relaxation data from proteins and complex fluids

    Bertil Halle, 2009, I : Journal of Chemical Physics. 131, 22, s. 224507:1-22

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  41. 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

  42. 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

  43. 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

  44. 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