Jacob Kongsted
The Lundbeck Foundation Center for Theoretical Chemistry
Department of Chemistry
University of Aarhus
Langelandsgade 140
Denmark
Name/email consistency: high
- Nuclear magnetic shielding constants of liquid water: insights from hybrid quantum mechanics/molecular mechanics models. Kongsted, J., Nielsen, C.B., Mikkelsen, K.V., Christiansen, O., Ruud, K. J. Chem. Phys (2007)
- Coupled cluster and density functional theory studies of the vibrational contribution to the optical rotation of (S)-propylene oxide. Kongsted, J., Pedersen, T.B., Jensen, L., Hansen, A.E., Mikkelsen, K.V. J. Am. Chem. Soc. (2006)
- Automatic generation of force fields and property surfaces for use in variational vibrational calculations of anharmonic vibrational energies and zero-point vibrational averaged properties. Kongsted, J., Christiansen, O. J. Chem. Phys (2006)