Journal of Chemical Physics, 0021-9606

Tidskrift

Fler filtreringsmöjligheter
  1. 2009
  2. 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.

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  3. 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.

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  4. 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.

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  5. 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.

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  6. Systematic truncation of the virtual space in multiconfigurational perturbation theory

    Aquilante, F., Todorova, T. K., Gagliardi, L., Pedersen, T. & Roos, B., 2009, I : Journal of Chemical Physics. 131, 3

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  7. 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

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  8. 2008
  9. Single-file dynamics with different diffusion constants

    Tobias Ambjörnsson, Lizana, L., Lomholt, M. A. & Silbey, R. J., 2008 nov 14, I : The Journal of chemical physics. 129, 18, 185106.

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  10. 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

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  11. 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.

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  12. 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

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  13. 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

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  14. 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

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  15. 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.

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  16. 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.

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  17. Electrostatics in the presence of spherical dielectric discontinuities.

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

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  18. 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.

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  19. 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.

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  20. 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.

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

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

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  22. 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

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  23. On the performance of quantum chemical methods to predict solvatochromic effects: The case of acrolein in aqueous solution.

    Aidas, K., Mo̸gelho̸j, A., Elna J K Nilsson, Johnson, M. S., Mikkelsen, K. V., Christiansen, O., Pär Söderhjelm & Kongsted, J., 2008, I : Journal of Chemical Physics. 128, 19, s. 194503-1-194503-15

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  24. 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

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

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

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  26. 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.

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  27. Study of the dissociation of nitrous oxide following resonant excitation of the nitrogen and oxygen K-shells.

    Céolin, D., Travnikova, O., Bao, Z., Piancastelli, M. N., Tanaka, T., Hoshino, M., Kato, H., Tanaka, H., Harries, J. R., Tamenori, Y., Prümper, C., Lischke, T., Liu, X-J. & Ueda, K., 2008, I : Journal of Chemical Physics. 128, 2, s. 024306-9 pp

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