Aidas, K., Mogelhoj, A., Nielsson, E. JK., Johnson, M. S., Mikkelsen, K. V.
, Christiansen, O., Soderhjelm, P.
& Kongsted, J. (2008).
On the performance of quantum chemical methods to predict solvatochromic effects: The case of acrolein in aqueous solution.
Journal of Chemical Physics,
128(19), 194503.
Hansen, M. B., Toffoli, D., Christiansen, O. & Kongsted, J. (2008).
Vibrational contributions to indirect spin-spin coupling constants calcualted via variational anharmoic approaches.
Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory,
112, 8436-8445.
Aidas, K.
, Kongsted, J., B. Nielsen, C., V. Mikkelsen, K.
, Christiansen, O. & Ruud, K. (2007).
Gauge-origin independent magnetizabilities from quantum mechanics/molecular mechanics models:Theory and application to liquid water.
Chem. Phys. Letters,
442, 322-328.
Weijo, V., Manninen, P., Jørgensen, P., Christiansen, O. & Olsen, J. (2007).
General biorthogonal projected bases as applied to second-order Møller-Plesset perturbation theory.
Journal of Chemical Physics,
127, 074106.
Kongsted, J., B. Nielsen, C., V. Mikkelsen, K.
, Christiansen, O. & Ruud, K. (2007).
Nuclear magnetic shielding constants of liquid water. Insights from hybrid quantum mechanics/molecular mechanics models.
Journal of Chemical Physics,
126, 034510/1-034510/8.
Arnbjerg, J., J. Paterson, M., B. Nielsen, C., Jørgensen, M.
, Christiansen, O. & Ogilby, P. R. (2007).
One- and two-photon photosensitized singlet oxygen production: Characterization of aromatic ketones as sensitizer standards.
Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory,
111, 5756-5767.
Aidas, K., Møgelhøj, A., Kjær, H., B. Nielsen, C., V. Mikkelsen, K., Ruud, K.
, Christiansen, O. & Kongsted, J. (2007).
Solvent effects on nmr isotropic shielding constants: A comparison between explicit polarizable discrete and continuum approaches.
Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory,
111, 4199-4210.
Arnbjerg, J., Jiménez-Banzo, A., Paterson, M. J., Nonell, S., Borrell, J. I.
, Christiansen, O. & Ogilby, P. R. (2007).
Two-photon absorption in tetraphenylporphycenes: are porphycenes better candidates than porphyrins for providing optimal optical properties for two-photon photodynamic therapy? Journal of the American Chemical Society,
129, 5188-5199.
Christiansen, O., Coriani, S., Gauss, J., Hättig, C.
, Jørgensen, P., Pawlowski, F. & Rizzo, A. (2006).
Accurate NLO properties for small molecules. Methods and results. I
Nonlinear optical properties of matter:From molecules to condensed phases Kluwer Academic Publishers.
Paterson, M. J., Christiansen, O., Pawlowski, F.
, Jørgensen, P., Hättig, C., Helgaker, T. & Salek, P. (2006).
Benchmarking two-photon absorption with CC3 quadratic response theory,and comparison with density-functional response theory.
Journal of Chemical Physics,
124, 054322-1- 054322-10.
Osted, A.
, Kongsted, J., Mikkelsen, K. V., Aastrand, P. O.
& Christiansen, O. (2006).
Statistical mechanically averaged molecularproperties of liquid water calculated using the combinedcoupled cluster/molecular dynamics method.
Journal of Chemical Physics,
124, 124503-1- 124503-16.