Jacob Kongsted
Affiliations: | Department of Physics, Chemistry and Pharmacy | University of Southern Denmark, Odense, Denmark |
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Sign in to add traineeErik Hedegaard | grad student | Lund University | |
Jógvan Magnus Haugaard Olsen | grad student | 2009-2012 | University of Southern Denmark (Chemistry Tree) |
Casper Steinmann | post-doc | 2013-2015 | (Chemistry Tree) |
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Publications
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Jørgensen FK, Reinholdt P, Hedegård ED, et al. (2022) Nuclear Magnetic Shielding Constants with the Polarizable Density Embedding Model. Journal of Chemical Theory and Computation |
Van den Heuvel W, Reinholdt P, Jensen HJA, et al. (2022) Multiconfigurational SCF and Short-Range DFT Combined with Polarizable Density Embedding: Comparison of Linear-Response and State-Specific Solvatochromic Shifts of Acrolein and -nitrophenolate in Water. Journal of Chemical Theory and Computation |
Dundas KOHM, Beerepoot MTP, Ringholm M, et al. (2021) Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model. Journal of Chemical Theory and Computation |
Reinholdt P, Jørgensen FK, Kongsted J, et al. (2020) Polarizable Density Embedding for Large Biomolecular Systems. Journal of Chemical Theory and Computation |
Hornum M, Reinholdt P, Zaręba JK, et al. (2020) One- and two-photon solvatochromism of the fluorescent dye Nile Red and its CF, F and Br-substituted analogues. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology |
Marefat Khah A, Reinholdt P, Nuernberger P, et al. (2020) Relaxation Dynamics of the Triazene Compound Berenil in DNA-Minor-Groove Confinement After Photo-Excitation. Journal of Chemical Theory and Computation |
Olsen JMH, Reine S, Vahtras O, et al. (2020) Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems. The Journal of Chemical Physics. 152: 214115 |
Moesgaard L, Reinholdt P, Wüstner D, et al. (2020) Modeling the sterol-binding domain of Aster-A provides insight into its multi-ligand specificity. Journal of Chemical Information and Modeling |
Marefat Khah A, Reinholdt P, Olsen JMH, et al. (2020) Avoiding Electron Spill-Out in QM/MM Calculations on Excited States with Simple Pseudopotentials. Journal of Chemical Theory and Computation |
Prioli S, Reinholdt P, Hornum M, et al. (2019) Rational Design of Nile Red Analogs for Sensing in Membranes. The Journal of Physical Chemistry. B |