Chemical Physics Letters, 0009-2614

Journal

More filtering options
  1. A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitation

    Liu, F., Liu, Y., De Vico, L. & Lindh, R., 2009, In : Chemical Physics Letters. 484, 1-3, p. 69-75

    Research output: Contribution to journalArticle

  2. 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

  3. Adsorption of NO on Fe3O4(111)

    Busch, M., Mehar, V., Merte, L. R., Shipilin, M., Edvin Lundgren, Weaver, J. F. & Grönbeck, H., 2018 Feb 1, In : Chemical Physics Letters. 693, p. 84-87 4 p.

    Research output: Contribution to journalArticle

  4. 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

  5. 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

  6. Analysing the chromium-chromium multiple bonds using multiconfigurational quantum chemistry

    Brynda, M., Gagliardi, L. & Roos, B., 2009, In : Chemical Physics Letters. 471, 1-3, p. 1-10

    Research output: Contribution to journalArticle

  7. An electronic signature of hydrolysation in the X-ray absorption spectrum of aqueous formaldehyde

    Ottosson, N., Aziz, E. F., Bradeanu, I. L., Legendre, S., Gunnar Öhrwall, Svensson, S., Bjoerneholm, O. & Eberhardt, W., 2008, In : Chemical Physics Letters. 460, 4-6, p. 540-542

    Research output: Contribution to journalArticle

  8. 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

Previous 1 2 3 4 5 6 7 8 ...12 Next