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Department of Chemistry

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Mikkelsen, J. E. S. & Jensen, F. (2024). Ambiguities in Decomposing Molecular Polarizability into Atomic Charge Flow and Induced Dipole Contributions. Journal of Physical Chemistry A, 128(20), 4168–4175. https://doi.org/10.1021/acs.jpca.4c01890

Thøgersen, J., Madzharova, F., Weidner, T. & Jensen, F. (2024). Aqueous pyruvate partly dissociates under deep ultraviolet irradiation but is resilient to near ultraviolet excitation. Nature Communications, 15(1), Article 1978. https://doi.org/10.1038/s41467-024-46309-5, https://doi.org/10.1038/s41467-024-46309-5

Jensen, F. (2024). Basis Set Superposition Errors Are Partly Basis Set Imbalances. Journal of Chemical Theory and Computation, 20(2), 767-774. https://doi.org/10.1021/acs.jctc.3c01156

Hillers-Bendtsen, A. E., Jensen, F., Mikkelsen, K. V., Olsen, J. & Jørgensen, P. (2024). Cluster perturbation theory IX: Perturbation series for the coupled cluster singles and doubles ground state energy. Journal of Chemical Physics, 160(10), Article 104108. https://doi.org/10.1063/5.0192388

Thøgersen, J., Madzharova, F., Weidner, T. & Jensen, F. (2024). Deep-Ultraviolet Photoexcitation of Aqueous Urea Forms Carbamic Acid/Carbamate in Less Than One Picosecond. Chemistry - A European Journal, 30(39), Article e202400728. https://doi.org/10.1002/chem.202400728

Tehlar, A., Casanova, J. T., Dnestryan, A. I., Jensen, F., Madsen, L. B., Tolstikhin, O. I. & Wörner, H. J. (2024). High-harmonic spectroscopy of impulsively aligned 1,3-cyclohexadiene: Signatures of attosecond charge migration. Structural Dynamics, 11(1), Article 014304. https://doi.org/10.1063/4.0000227

Knattrup, Y., Kubečka, J., Wu, H., Jensen, F. & Elm, J. (2024). Reparameterization of GFN1-xTB for atmospheric molecular clusters: applications to multi-acid-multi-base systems. RSC Advances, 14(28), 20048-20055. https://doi.org/10.1039/d4ra03021d

Viegas, L. P. & Jensen, F. (2023). A computer-based solution to the oxidation kinetics of fluorinated and oxygenated volatile organic compounds. Environmental Science: Atmospheres, 3(5), 855-871 . https://doi.org/10.1039/d2ea00164k

Jensen, F. (2023). Basis Set Extrapolation of Vibrational Frequencies. The Journal of Physical Chemistry A, 127(12), 2859–2863. https://doi.org/10.1021/acs.jpca.3c00064

Hasegawa, H., Matsuda, A., Morishita, T., Madsen, L. B., Jensen, F., Tolstikhin, O. I. & Hishikawa, A. (2023). Dissociative ionization and Coulomb explosion of CH₄ in two-color asymmetric intense laser fields. Physical Chemistry Chemical Physics, 25(37), 25408-25419. https://doi.org/10.1039/d3cp02337k

Kristensen, H. H., Kranabetter, L., Schouder, C. A., Arlt, J., Jensen, F. & Stapelfeldt, H. (2023). Laser-induced Coulomb explosion imaging of alkali-metal dimers on helium nanodroplets. Physical Review A, 107(2), Article 023104. https://doi.org/10.1103/PhysRevA.107.023104

Kranabetter, L., Kristensen, H. H., Ghazaryan, A., Schouder, C. A., Chatterley, A. S., Janssen, P., Jensen, F., Zillich, R. E., Lemeshko, M. & Stapelfeldt, H. (2023). Nonadiabatic Laser-Induced Alignment Dynamics of Molecules on a Surface. Physical Review Letters, 131(5), Article 053201. https://doi.org/10.1103/PhysRevLett.131.053201

Thøgersen, J., Chatterley, A. S., Weidner, T. & Jensen, F. (2023). Peptide Bond of Aqueous Dipeptides Is Resilient to Deep Ultraviolet Irradiation. Journal of the American Chemical Society, 145(17), 9777–9785. https://doi.org/10.1021/jacs.3c01469

Pitteloud, Q., Wind, P., Jensen, S. R., Frediani, L. & Jensen, F. (2023). Quantifying Intramolecular Basis Set Superposition Errors. Journal of Chemical Theory and Computation, 19(17), 5863-5871. https://doi.org/10.1021/acs.jctc.3c00693

Thøgersen, J., Weidner, T. & Jensen, F. (2023). The primary photolysis of aqueous carbonate di-anions. Physical Chemistry Chemical Physics, 25(20), 14104-14116. https://doi.org/10.1039/d3cp00236e

Jensen, F. (2023). Unifying Charge-Flow Polarization Models. Journal of Chemical Theory and Computation, 19(13), 4047-4073. https://doi.org/10.1021/acs.jctc.3c00341

Hasegawa, H., Walmsley, T., Matsuda, A., Morishita, T., Madsen, L. B., Jensen, F., Tolstikhin, O. I. & Hishikawa, A. (2022). Asymmetric Dissociative Tunneling Ionization of Tetrafluoromethane in ω − 2ω Intense Laser Fields. Frontiers in Chemistry, 10, Article 857863. https://doi.org/10.3389/fchem.2022.857863

Jensen, F. (2022). Computational Chemistry: The Exciting Opportunities and the Boring Details. Israel Journal of Chemistry, 62(1-2), Article e202100027. https://doi.org/10.1002/ijch.202100027

Thorning, F., Jensen, F. & Ogilby, P. R. (2022). Geometry Dependence of Spin-Orbit Coupling in Complexes of Molecular Oxygen with Atoms, H₂, or Organic Molecules. The Journal of Physical Chemistry A, 126(6), 834-844. https://doi.org/10.1021/acs.jpca.1c09634

Fujise, H., Uemura, M., Hasegawa, H., Ikeya, D., Matsuda, A., Morishita, T., Madsen, L. B., Jensen, F., Tolstikhin, O. I. & Hishikawa, A. (2022). Helicity-dependent dissociative tunneling ionization of CF₄ in multicycle circularly polarized intense laser fields. Physical Chemistry Chemical Physics, 24(15), 8962-8969. https://doi.org/10.1039/d1cp05858d

Strunge, K., Madzharova, F., Jensen, F., Weidner, T. & Nagata, Y. (2022). Theoretical Sum Frequency Generation Spectra of Protein Amide with Surface-Specific Velocity-Velocity Correlation Functions. Journal of Physical Chemistry B, 126(42), 8571-8578. https://doi.org/10.1021/acs.jpcb.2c04321

Thorning, F., Jensen, F. & Ogilby, P. R. (2022). The oxygen–organic molecule photosystem: revisiting the past, recalibrating the present, and redefining the future. Photochemical & Photobiological Sciences, 21(7), 1133-1141. https://doi.org/10.1007/s43630-022-00196-1

Thøgersen, J., Weidner, T. & Jensen, F. (2022). The primary photo-dissociation dynamics of aqueous formamide and dimethylformamide. Physical Chemistry Chemical Physics, 24(40), 24695-24705. https://doi.org/10.1039/d2cp03166c

Thøgersen, J., Weidner, T. & Jensen, F. (2022). The primary photo-dissociation dynamics of lactic acid: decarboxylation as CO₂ and CO₂˙⁻†. Physical Chemistry Chemical Physics, 24(11), 6880-6889. https://doi.org/10.1039/d1cp05563a

Jensen, F. (2022). Using atomic charges to model molecular polarization. Physical Chemistry Chemical Physics, 24(4), 1926-1943. https://doi.org/10.1039/d1cp03542h

Displaying results 1 to 25 out of 216

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Revised 06.11.2023