Journal of Chemical Physics, 0021-9606

Tidskrift

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  1. Semiclassical calculations of collision line broadening in Raman spectra of N-2 and CO mixtures

    Afzelius, M., Per-Erik Bengtsson & Bonamy, J., 2004, I : Journal of Chemical Physics. 120, 18, s. 8616-8623

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  2. The electronic structure of iron phthalocyanine probed by photoelectron and x-ray absorption spectroscopies and density functional theory calculations

    Ahlund, J., Nilson, K., Schiessling, J., Kjeldgaard, L., Berner, S., Martensson, N., Puglia, C., Brena, B., Nyberg, M. & Luo, Y., 2006, I : Journal of Chemical Physics. 125, 3

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  3. 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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  4. Spin-orbit ab initio study of alkyl halide dissociation via electronic curve crossing

    Ajitha, D., Wierzbowska, M., Lindh, R. & Per-Åke Malmqvist, 2004, I : Journal of Chemical Physics. 121, 12, s. 5761-5766

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  5. 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

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  6. 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 andra, Journel, L., Küpper, J., Lahl, J., Lee, J. W. L., Maclot, S., 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

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  7. 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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  8. 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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  9. 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

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  10. Nature of polarized excitons

    T. Ambjörnsson & Apell, S. P., 2001 feb 22, I : The Journal of chemical physics. 114, 8, s. 3365-3372

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  11. 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 andra, Müller, 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.

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  12. 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.

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  13. Spectroscopic identification of ethanol-water conformers by large-amplitude hydrogen bond librational modes.

    Andersen, J., Heimdal, J. & Wugt Larsen, R., 2015, I : Journal of Chemical Physics. 143, 22, 224315.

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  14. 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.

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  15. The electronic structure of free aluminum clusters: Metallicity and plasmons

    Andersson, T., Zhang, C., Maxim Tchaplyguine, Svensson, S., Martensson, N. & Bjorneholm, O., 2012, I : Journal of Chemical Physics. 136, 20

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  16. Plasmon single- and multi-quantum excitation in free metal clusters as seen by photoelectron spectroscopy.

    Andersson, T., Zhang, C., Aldana Rosso, Bradeanu, I., Legendre, S., Canton, S., Maxim Tchaplyguine, Gunnar Öhrwall, Stacey Ristinmaa Sörensen, Svensson, S., Mårtensson, N. & Björneholm, O., 2011, I : Journal of Chemical Physics. 134, 9, 094511.

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  17. Surface-induced C–O bond anharmonicity of methoxy adsorbed on Cu(100): Experiments and density-functional theory calculations

    Andersson, M. P., Blomquist, J. & Per Uvdal, 2005, I : Journal of Chemical Physics. 123, 22, s. 224714-1-224714-5

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  18. Study of water dynamics and distances in paramagnetic solids by variable-temperature two-dimensional H-2 NMR spectroscopy

    Antonijevic, S. & Persson Sunde, E., 2007, I : Journal of Chemical Physics. 126, 1

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  19. 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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  20. 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

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  21. 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

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  22. 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

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  23. 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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  24. Unbiased auxiliary basis sets for accurate two-electron integral approximations

    Aquilante, F., Lindh, R. & Pedersen, T., 2007, I : Journal of Chemical Physics. 127, 11

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  25. Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals

    Aquilante, F., Pedersen, T. & Lindh, R., 2007, I : Journal of Chemical Physics. 126, 19

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