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Department of Chemistry

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Papers

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Stanchev, S., Jensen, F. & Manolov, I. (2008). Synthesis and DFT study of the spectral behavior of new 4-hydroxycoumarins. International Journal of Quantum Chemistry, (108), 1340-1351. https://doi.org/10.1002/qua.21628

Zuzic, L., Stange, A. D., Bavnhøj, L., Driller, J. H., Schiøtt, B. & Pedersen, B. P. (2023). Sweet and sour transport: Simulation insights into H⁺/sugar symport in plants. Biophysical Journal, 122(3S1), 197a. https://doi.org/10.1016/j.bpj.2022.11.1201

Nissum, M., Nielsen, O. F., Jensen, F. & Jensen, P. W. (1995). Surface-Enhanced Raman Spectroscopic Investigation of Thiazole Orange Derivatives Using Visible and Near-Infrared Excitation. Journal of Raman Spectroscopy, 26, 1009-1017. https://doi.org/10.1002/jrs.1250261106

Nielsen, K. A., Cho, W-S., Sarova, G. H., Petersen, B. M., Bond, A. D., Becher, J., Jensen, F., Guldi, D. M., Sessler, J. L. & Jeppesen, J. O. (2006). Supramolecular receptor design: Anion-triggered binding of C. Angewandte Chemie International Edition, 45(41), 6848-6853. https://doi.org/10.1002/anie.200602724

Celik, L., Schiøtt, H. B. & Tajkhorshid, E. (2008). Substrate Binding and Formation of an Occluded State in the Leucine Transporter. Biophysical Journal, 94(5), 1600-1612. https://doi.org/10.1529/biophysj.107.117580

Koldsø, H., Celik, L., Sinning, S., Severinsen, K., Wiborg, O. & Schiøtt, H. B. (2008). Substrate Binding and Dynamics in the Human Serotonin Transporter. Poster session presented at ISQBP 2008, Ascona, Switzerland.

Zeppelin, T., Ladefoged, L. K., Sinning, S. & Schiøtt, B. (2019). Substrate and inhibitor binding to the serotonin transporter: Insights from computational, crystallographic, and functional studies. Neuropharmacology, 161, Article 107548. https://doi.org/10.1016/j.neuropharm.2019.02.030

Schiøtt, B. & Jørgensen, K. A. (1989). Studies of the oxidative addition of some substrates containing carbon-heteroatom bonds to some tungsten and platinum complexes. Dalton Transactions (Print Edition), 1989(11), 2099-2107. https://doi.org/10.1039/DT9890002099

Madsen, L. B., Jensen, F., Dnestryan, A. I. & Tolstikhin, O. I. (2017). Structure factors for tunneling ionization rates of molecules: General Hartree-Fock-based integral representation. Physical Review A, 96(1), Article 013423. https://doi.org/10.1103/PhysRevA.96.013423

Madsen, L. B., Jensen, F., Tolstikhin, O. I. & Morishita, T. (2013). Structure factors for tunneling ionization rates of molecules. Physical Review A, 87(1), 013406. https://doi.org/10.1103/PhysRevA.87.013406

Dnestryan, A. I., Tolstikhin, O. I., Madsen, L. B. & Jensen, F. (2018). Structure factors for tunneling ionization rates of molecules: General grid-based methodology and convergence studies. The Journal of Chemical Physics, 149(16), 164107-1 - 164107-9. Article 164107. https://doi.org/10.1063/1.5046902

Triki, H., Nagy, B., Overgaard, J., Jensen, F. & Kamoun, S. (2020). Structure, DFT based investigations on vibrational and nonlinear optical behavior of a new guanidinium cobalt thiocyanate complex. Structural Chemistry, 31(1), 103-114. https://doi.org/10.1007/s11224-019-01380-3

Jensen, F. & Toftlund, H. (1993). Structure and stability of C and BN isomers. Chemical Physics Letters, 201(1-4), 89-96. https://doi.org/10.1016/0009-2614(93)85039-Q

Jensen, F. (1992). Structure and Stabilities of Glycine and Methyl Glycine Complexes with H+, Li+ and Na+. Journal of American Chemical Society, 114(24), 9533–9537. https://doi.org/10.1021/ja00050a036

Jensen, F. & Oddershede, J. (1990). Structure and spectra of ClO dimers. Journal of Physical Chemistry, 94(6), 2235-2237.

Vestergaard, M., Berglund, N. A., Hsu, P. C., Song, C., Koldsø, H., Schiøtt, B. & Sansom, M. S. P. (2019). Structure and Dynamics of Cinnamycin-Lipid Complexes: Mechanisms of Selectivity for Phosphatidylethanolamine Lipids. ACS Omega, 4(20), 18889-18899. https://doi.org/10.1021/acsomega.9b02949

Bengtsen, T., Holm, V. L., Kjølbye, L. R., Midtgaard, S. R., Johansen, N. T., Tesei, G., Bottaro, S., Schiøtt, B., Arleth, L. & Lindorff-Larsen, K. (2020). Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations. eLife, 9, 1-24. Article e56518. https://doi.org/10.7554/eLife.56518

Pedersen, M. T., Jensen, F. & Skibsted, J. (2018). Structural Investigation of Ye'elimite, Ca₄Al₆O₁₂SO₄, by ²⁷Al MAS and MQMAS NMR at Different Magnetic Fields. Journal of Physical Chemistry C, 122(22), 12077-12089. https://doi.org/10.1021/acs.jpcc.8b02497

Jensen, M. R., Bajic, G., Zhang, X., Laustsen, A. K., Koldsø, H., Skeby, K. K., Schiøtt, B., Andersen, G. R. & Vorup-Jensen, T. (2016). Structural basis for simvastatin competitive antagonism of complement receptor 3. Journal of Biological Chemistry, 291(33), 16963-16976. https://doi.org/10.1074/jbc.M116.732222

Overgaard, J., Schiøtt, B., Larsen, F. K., Schultz, A. J., MacDonald, J. C. & Iversen, B. B. (1999). Strong N-H···O hydrogen bonding in a model compound of the catalytic triad in serine proteases. {ANGEWANDTE CHEMIE-INTERNATIONAL EDITION}, 38(9), 1239-1242.

Mohamed, A. A. & Jensen, F. (2001). Steric effects in SN2 reactions. The influence of microsolvation. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 105(13), 3259-3268. https://doi.org/10.1021/jp002802m

Jensen, F. (1998). Stationary points on the HCO potential energy surface. Dependence on theoretical level. Theoretical Chemistry Accounts, 99(5), 295-300. https://doi.org/10.1007/s002140050339

Drenck, K., Jensen, F., Olsen, J. & Nielsen, S. B. (2008). Stability of the three tetracoordinated dianions Ni(CN)^2-₄, Cr(SCN)^2-_{4 ,}and Cu(N₃)^2-₄. Chemical Physics, 353, 189-192.

Gadegaard, A. R., Thøgersen, J., Jensen, S. K., Nielsen, J. B., Jena, N. K., Odelius, M., Jensen, F. & Keiding, S. R. (2014). Spectroscopy and picosecond dynamics of aqueous NO₂. Journal of Chemical Physics, 141(6), Article 064310. https://doi.org/10.1063/1.4892342

Bregnhøj, M., Westberg, M., Jensen, F. & Ogilby, P. R. (2016). Solvent-dependent singlet oxygen lifetimes: temperature effects implicate tunneling and charge-transfer interactions. Physical Chemistry Chemical Physics, 18(33), 22946-22961. https://doi.org/10.1039/C6CP01635A

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Revised 17.04.2023