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2006
Mark Coupled cluster and density functional theory studies of the vibrational contribution to the optical rotation of (S)-propylene oxide
Kongsted, J ; Pedersen, Thomas ^LU ; Jensen, L ; Hansen, AE and Mikkelsen, KV (2006) In Journal of the American Chemical Society 128(3). p.976-982
- Contribution to journal › Article
2002
Mark Dipole and quadrupole moments of liquid water calculated within the coupled cluster/molecular mechanics method
Kongsted, J ; Osted, A ; Mikkelsen, KV and Christiansen, Ove ^LU (2002) In Chemical Physics Letters 364(3-4). p.379-386
- Contribution to journal › Article