Chemical Physics Letters, 0009-2614

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  1. 2007
  2. The charge capacity of the chemical bond

    Holt, A., Gunnar Karlström & Lindh, R., 2007, In : Chemical Physics Letters. 436, 1-3, p. 297-301

    Research output: Contribution to journalArticle

  3. The role of molecular polarity in cluster local structure studied by photoelectron spectroscopy

    Aldana Rosso, Rander, T., Bergersen, H., Lindblad, A., Lundwall, M., Svensson, S., Maxim Tchaplyguine, Gunnar Öhrwall, Saethre, L. J. & Bjorneholm, O., 2007, In : Chemical Physics Letters. 435, 1-3, p. 79-83

    Research output: Contribution to journalArticle

  4. 2006
  5. A theoretical study of singlet low-energy excited states of the benzene dimer

    Rocha-Rinza, T., De Vico, L., Valera Veryazov & Roos, B., 2006, In : Chemical Physics Letters. 426, 4-6, p. 268-272

    Research output: Contribution to journalArticle

  6. Characterization of N-representable n-particle densities when N is infinite

    Mats-Erik Pistol, 2006, In : Chemical Physics Letters. 417, 4-6, p. 521-523

    Research output: Contribution to journalArticle

  7. Combined quantum chemical statistical mechanical simulations of Mg2+, Ca2+ and Sr2+ in water

    Tofteberg, T., Öhrn, A. & Gunnar Karlström, 2006, In : Chemical Physics Letters. 429, 4-6, p. 436-439

    Research output: Contribution to journalArticle

  8. First observation of vibrations in core-level photoelectron spectra of free neutral molecular clusters

    Bergersen, H., Abu-samha, M., Lindblad, A., Marinho, R. R. T., Ceolin, D., Ohrwall, G., Saethre, L. J., Maxim Tchaplyguine, Borve, K. J., Svensson, S. & Bjorneholm, O., 2006, In : Chemical Physics Letters. 429, 1-3, p. 109-113

    Research output: Contribution to journalArticle

  9. High resolution O 1s photoelectron shake-up satellite spectrum of H2O

    Sankari, R., Ehara, M., Nakatsuji, H., de Fanis, A., Aksela, H., Stacey Ristinmaa Sörensen, Piancastelli, MN., Kukk, E. & Ueda, K., 2006, In : Chemical Physics Letters. 422, 1-3, p. 51-57

    Research output: Contribution to journalArticle

  10. N-representable distance densities have positive Fourier transforms

    Mats-Erik Pistol, 2006, In : Chemical Physics Letters. 431, 1-3, p. 216-218

    Research output: Contribution to journalArticle

  11. Relations between N-representable n-particle densities

    Mats-Erik Pistol, 2006, In : Chemical Physics Letters. 422, 4-6, p. 363-366

    Research output: Contribution to journalArticle

  12. Solvent induced control of energy transfer within Zn(II)-porphyrin dendrimers

    Larsen, J., Brüggemann, B., Sly, J., Crossley, M. J., Villy Sundström & Eva Åkesson, 2006, In : Chemical Physics Letters. 433, 1-3, p. 159-164

    Research output: Contribution to journalArticle

  13. Suppression of binding events via external perturbation with emphasis on QCM

    Zhdanov, VP., Edvardsson, M., Höök, F. & Kasemo, B., 2006, In : Chemical Physics Letters. 424, 1-3, p. 214-217

    Research output: Contribution to journalArticle

  14. The lowest-lying doublet electronic states of CoC - A theoretical study

    Borin, AC., Gobbo, JP. & Roos, B., 2006, In : Chemical Physics Letters. 418, 4-6, p. 311-316

    Research output: Contribution to journalArticle

  15. 2005
  16. A molecule wired: Electrostatic investigation

    Hansen, T., Pedersen, T. & Mikkelsen, K. V., 2005, In : Chemical Physics Letters. 405, 1-3, p. 118-122

    Research output: Contribution to journalArticle

  17. Charge transfer state induced from locally excited state by polar solvent

    Sun, M., 2005, In : Chemical Physics Letters. 408, 1-3, p. 128-133

    Research output: Contribution to journalArticle

  18. Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution

    Kongsted, J., Pedersen, T., Strange, M., Osted, A., Hansen, A. E., Mikkelsen, K. V., Pawlowski, F., Jorgensen, P. & Hattig, C., 2005, In : Chemical Physics Letters. 401, 4-6, p. 385-392

    Research output: Contribution to journalArticle

  19. Direct ESR Evidence for SH2 Type Reaction of a Methyl Radical with Methylsilane and Methylgermane in a Low Temperature Solid: a Deuterium Labelling Study

    Komaguchi, K., Norberg, D., Nakazawa, N., Shiotani, M., Petter Persson & Lunell, S., 2005, In : Chemical Physics Letters. 410, 1-3, p. 1-5

    Research output: Contribution to journalLetter

  20. Energy transfer and conformational dynamics in Zn-porphyrin dendrimers

    Larsen, J., Andersson, J., Polivka, T., Sly, J., Crossley, M. J., Villy Sundström & Eva Åkesson, 2005, In : Chemical Physics Letters. 403, 1-3, p. 205-210

    Research output: Contribution to journalArticle

  21. Excited state properties of acceptor-substitute carotenoids: 2D and 3D real-space analysis

    Sun, M., Kjellberg, P., Ma, F. & Tönu Pullerits, 2005, In : Chemical Physics Letters. 401, 4-6, p. 558-564

    Research output: Contribution to journalArticle

  22. Intermolecular charge and energy transfer in neurosporene and chlorophyll a derivative complex

    Sun, M., Li, Y. & Ma, F., 2005, In : Chemical Physics Letters. 412, 4-6, p. 425-429

    Research output: Contribution to journalArticle

  23. Intramolecular charge transfer and locally excited states of the fullerene-linked quarter-thiophenes dyad

    Sun, M., Chen, Y., Song, P. & Ma, F., 2005, In : Chemical Physics Letters. 413, 1-3, p. 110-117

    Research output: Contribution to journalArticle

  24. Intramolecular charge transfer in the porphyrin-oligothiophene-fullerene triad

    Sun, M., Song, P., Chen, Y. & Ma, F., 2005, In : Chemical Physics Letters. 416, 1-3, p. 94-99

    Research output: Contribution to journalArticle

  25. Large spectral diffusion of conjugated polymer single molecule fluorescence at low temperature

    Oleg Mirzov, Tönu Pullerits, Cichos, F., von Borczyskowski, C. & Ivan Scheblykin, 2005, In : Chemical Physics Letters. 408, 4-6, p. 317-321

    Research output: Contribution to journalArticle

  26. New relativistic ANO basis sets for actinide atoms

    Roos, B., Lindh, R., Per-Åke Malmqvist, Valera Veryazov & Per-Olof Widmark, 2005, In : Chemical Physics Letters. 409, 4-6, p. 295-299

    Research output: Contribution to journalArticle

  27. Theoretical study of PbO and the PbO anion

    Ilias, M., Jensen, H. J. A., Kello, V., Roos, B. & Urban, M., 2005, In : Chemical Physics Letters. 408, 4-6, p. 210-215

    Research output: Contribution to journalArticle

  28. Water adsorption on O-covered Ru {0001}: Coverage-dependent change from dissociation to molecular adsorption

    Gladys, MJ., Anders Mikkelsen, Jesper N Andersen & Held, G., 2005, In : Chemical Physics Letters. 414, 4-6, p. 311-315

    Research output: Contribution to journalArticle

  29. 2004
  30. A coupled cluster study of the oriented circular dichroism of the n ->pi* electronic transition in cyclopropanone and natural optical active related structures

    Kongsted, J., Hansen, A. E., Pedersen, T., Osted, A., Mikkelsen, K. V. & Christiansen, O., 2004, In : Chemical Physics Letters. 391, 4-6, p. 259-266

    Research output: Contribution to journalArticle

  31. A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)

    Ghigo, G., Roos, B. & Per-Åke Malmqvist, 2004, In : Chemical Physics Letters. 396, 1-3, p. 142-149

    Research output: Contribution to journalArticle

  32. Application of an atomic relaxation model for the interpretation of O1s to Rydberg excited Auger electron spectra of molecular oxygen

    Stacey Ristinmaa Sörensen, Tanaka, T., Feifel, R., Eland, JHD., Kitajima, M., Tanaka, H., Sankari, R., De Fanis, A., Piancastelli, MN., Karlsson, L. & Ueda, K., 2004, In : Chemical Physics Letters. 398, 1-3, p. 168-174

    Research output: Contribution to journalArticle

  33. A quantitative analysis of the N 1s ->pi* photoabsorption profile in N-2: new spectroscopical constants for the core-excited state

    Feifel, R., Andersson, M., Ohrwall, G., Stacey Ristinmaa Sörensen, Piancastelli, MN., Tchaplyguine, M., Bjorneholm, O., Karlsson, L. & Svensson, S., 2004, In : Chemical Physics Letters. 383, 3-4, p. 222-229

    Research output: Contribution to journalArticle

  34. A theoretical study of the bonding in trivalent americium complexes

    Vetere, V., Roos, B., Maldivi, P. & Adamo, C., 2004, In : Chemical Physics Letters. 396, 4-6, p. 452-457

    Research output: Contribution to journalArticle

  35. Controlling excitonic wavepacket motion in the PS1 core-antenna system

    Brüggemann, B. & May, V., 2004, In : Chemical Physics Letters. 400, 4-6, p. 573-577

    Research output: Contribution to journalArticle

  36. Direct exciton quenching in single molecules of MEH-PPV at 77 K

    Oleg Mirzov, Cichos, F., von Borczyskowski, C. & Ivan Scheblykin, 2004, In : Chemical Physics Letters. 386, 4-6, p. 286-290

    Research output: Contribution to journalArticle

  37. Molecular dynamics above the smectic A-isotropic phase transition of thermotropic liquid crystals studied by NMR

    Vaca Chavez, F., Acosta, RH. & Pusiol, DJ., 2004, In : Chemical Physics Letters. 392, 4-6, p. 403-408

    Research output: Contribution to journalArticle

  38. Origin invariant calculation of optical rotation without recourse to London orbitals

    Pedersen, T., Koch, H., Boman, L. & Sánchez de Meras, A. M. J., 2004, In : Chemical Physics Letters. 393, 4-6, p. 319-326

    Research output: Contribution to journalArticle

  39. Polarizabilities of small annulenes from Cholesky CC2 linear response theory

    Garcia Cuesta, I., Pedersen, T., Koch, H. & Sanchez de Meras, A. M. K., 2004, In : Chemical Physics Letters. 390, 1-3, p. 170-175

    Research output: Contribution to journalArticle

  40. Pump-probe lifetime measurements on singlet ungerade states in molecular nitrogen

    Sprengers, JP., Johansson, A., Anne L'Huillier, Claes-Göran Wahlström, Lewis, BR. & Ubachs, W., 2004, In : Chemical Physics Letters. 389, 4-6, p. 348-351

    Research output: Contribution to journalArticle

  41. Radial surface segregation in free heterogeneous argon/krypton clusters

    Lundwall, M., Maxim Tchaplyguine, Ohrwall, G., Feifel, R., Lindblad, A., Lindgren, A., Stacey Ristinmaa Sörensen, Svensson, S. & Bjorneholm, O., 2004, In : Chemical Physics Letters. 392, 4-6, p. 433-438

    Research output: Contribution to journalArticle

  42. Temperature effect on single chain MEH-PPV spectra

    Rönne, C., Trägårdh, J., Dan Hessman & Villy Sundström, 2004, In : Chemical Physics Letters. 388, 1-3, p. 40-45

    Research output: Contribution to journalArticle

  43. Ultrafast singlet energy transfer competes with intersystem crossing in a multi-center transition metal polypyridine complex

    Andersson, J., Puntoriero, F., Serroni, S., Arkady Yartsev, Torbjörn Pascher, Polivka, T., Campagna, S. & Villy Sundström, 2004, In : Chemical Physics Letters. 386, 4-6, p. 336-341

    Research output: Contribution to journalArticle

  44. 2003
  45. Autoionisation of super excited states in N2 to the N2+ B state

    Álvarez Ruiz, J., Coreno, M., Erman, P., Kivimäki, A., Melero García, E., Prince, K., de Simone, M., Rachlew, E., Richter, R., Jaume Rius i Riu & Veseth, L., 2003, In : Chemical Physics Letters. 372, 1-2, p. 139-146

    Research output: Contribution to journalLetter

  46. Evidence of ultra-fast dissociation in ammonia observed by resonant Auger electron spectroscopy

    Hjelte, I., Piancastelli, MN., Jansson, CM., Wiesner, K., Bjorneholm, O., Bassler, M., Stacey Ristinmaa Sörensen & Svensson, S., 2003, In : Chemical Physics Letters. 370, 5-6, p. 781-788

    Research output: Contribution to journalArticle

  47. Photodissociation of Bromobenzene in Solution.

    Rasmusson, M., Lindh, R., Lascoux, N., Tarnovsky, A., Kadi, M., Kühn, O., Villy Sundström & Eva Åkesson, 2003, In : Chemical Physics Letters. 367, 5-6, p. 759-766

    Research output: Contribution to journalArticle

  48. Resonant Auger spectroscopy in solid alkali nitrates as a probe of nuclear motion in the core-excited NO3- anion

    Alexei Preobrajenski, Vinogradov, AS., Molodtsov, SL., Krasnikov, SA., Szargan, R. & Laubschat, C., 2003, In : Chemical Physics Letters. 368, 1-2, p. 125-131

    Research output: Contribution to journalArticle

  49. The allyl radical revisited: A theoretical study of the electronic spectrum.

    Aquilante, F., Jensen, K. & Roos, B., 2003, In : Chemical Physics Letters. 380, 5-6, p. 689-698

    Research output: Contribution to journalArticle

  50. Valence photoionization and resonant core excitation of ozone - experimental and theoretical study of the (C)over-tilde-state of O-3(+)

    Wiesner, K., Fink, RF., Stacey Ristinmaa Sörensen, Andersson, M., Feifel, R., Hjelte, I., Miron, C., de Brito, AN., Rosenqvist, L., Wang, H., Svensson, S. & Bjorneholm, O., 2003, In : Chemical Physics Letters. 375, 1-2, p. 76-83

    Research output: Contribution to journalArticle