Institut for Kemi

Aarhus Universitets segl

Publications

Sortér efter: Dato | Forfatter | Titel

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), Artikel e202400728. https://doi.org/10.1002/chem.202400728
Versolato, O. O., Schwarz, M., Hansen, A. K., Gingell, A. D., Windberger, A., Kłosowski, L., Ullrich, J., Jensen, F., Crespo López-Urrutia, J. R. & Drewsen, M. (2013). Decay Rate Measurement of the First Vibrationally Excited State of MgH+ in a Cryogenic Paul Trap. Physical Review Letters, 111(5), 053002. https://doi.org/10.1103/PhysRevLett.111.053002
Hansen, T. K., Jorgensen, T., Jensen, F., Thygesen, P. H., Christiansen, K., Hursthouse, M. B., Harman, M. E., Malik, M. A., Girmay, B., Underbill, A. E., Begtrup, M., Kilburn, J. D., Belmore, K., Roepstorff, P. & Becher, J. (1993). Crown ether annelated tetrathiafulvalenes. 2. Journal of Organic Chemistry, 58(6), 1359-1366. https://doi.org/10.1021/jo00058a013
Halskov, K. S., Johansen, T. K., Davis, R., Hoff Steurer, M. M., Jensen, F. & Jørgensen, K. A. (2012). Cross-trienamines in Asymmetric Organocatalysis. Journal of the American Chemical Society, 134(31), 12943-12946. https://doi.org/10.1021/ja3068269
Jensen, F. & Houk, K. N. (1987). Correlated Transition Structure for the [1,5]-Hydrogen Shift. Journal of American Chemical Society, 109(10), 3139–3140. https://doi.org/10.1021/ja00244a043
Christensen, A., Mayer, C., Jensen, F., Bond, A. D. & McKenzie, C. J. (2006). Controlled formation and topologies of thiophenolate-based macrocycles: Rings, cylinders and bowls. Dalton Transactions (Print Edition), (1), 108-120. https://doi.org/10.1039/b512068c
Jensen, F. (2005). Contracted basis sets for density functional calculations: Segmented versus general contraction. Journal of Chemical Physics, 122(7). https://doi.org/10.1063/1.1844313
Jensen, F. (1997). Conformations of glycolic acid. Acta Chemica Scandinavica, 51(4), 439-441.
Kaminský, J. & Jensen, F. (2016). Conformational Interconversions of Amino Acid Derivatives. Journal of Chemical Theory and Computation, 12(2), 694-705. https://doi.org/10.1021/acs.jctc.5b00911
Jensen, F. (2022). Computational Chemistry: The Exciting Opportunities and the Boring Details. Israel Journal of Chemistry, 62(1-2), Artikel e202100027. https://doi.org/10.1002/ijch.202100027
Yuan, Y., Mills, M. J. L., Popelier, P. L. A. & Jensen, F. (2014). Comprehensive Analysis of Energy Minima of the 20 Natural Amino Acids. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 118(36), 7876-7891. https://doi.org/10.1021/jp503460m
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), Artikel 104108. https://doi.org/10.1063/5.0192388
Hillers-Bendtsen, A. E., Kjeldal, F. Ø., Høyer, N. M., Johansen, M. B., Juncker von Buchwald, T., Iuel Lunøe Dünweber, P. G., Olsen, L. H., Jensen, F., Olsen, J., Jørgensen, P. & Mikkelsen, K. V. (2024). Cluster perturbation theory: X. A parallel implementation of Lagrangian perturbation series for the coupled cluster singles and doubles ground-state energy through fifth order. The Journal of Chemical Physics, 161(18), Artikel 184111. https://doi.org/10.1063/5.0234183
Jensen, F. & Foote, C. S. (1987). Chemistry of singlet oxygen. 49. Photooxidation of thiiranes. Journal of the American Chemical Society, 109(5), 1478-1485. https://doi.org/10.1021/ja00239a030
Jensen, F. & Foote, C. S. (1987). Chemistry of singlet oxygen--48. Isolation and structure of the primary product of photooxygenation of 3,5-di-t-butyl catechol. Photochemistry and Photobiology, 46(3), 325-330. https://doi.org/10.1111/j.1751-1097.1987.tb04776.x
Jensen, F. (2005). Chapter 1 An Introduction to the State of the Art in Quantum Chemistry. Annual Reports in Computational Chemistry, 1(C), 3-17. https://doi.org/10.1016/S1574-1400(05)01001-7
Ettenhuber, P., Hansen, M. B., Poier, P. P., Shaik, I., Rasmussen, S. E., Madsen, N. K., Majland, M., Jensen, F., Olsen, L. & Zinner, N. T. (2025). Calculating the Energy Profile of an Enzymatic Reaction on a Quantum Computer. Journal of Chemical Theory and Computation, 21(7), 3493-3503. https://doi.org/10.1021/acs.jctc.5c00022
Mikkelsen, J. E. S. & Jensen, F. (2025). Calculating Bond Capacities by Linear Response Methods. Journal of Chemical Theory and Computation, 21(9), 4553-4561. https://doi.org/10.1021/acs.jctc.5c00233
Jensen, F. & Koch, H. (1998). C24. Ring or Fullerene? Journal of Chemical Physics, 108, 3213-3217. https://doi.org/10.1063/1.475716
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
Nagy, B. & Jensen, F. (2017). Basis Sets in Quantum Chemistry. I A. L. Parrill & K. Lipkowitz (red.), Reviews in computational chemistry (Bind 30, s. 93-150). Wiley.
Hedegård, E. D., Jensen, F. & Kongsted, J. (2012). Basis Set Recommendations for DFT Calculations of Gas-Phase Optical Rotation at Different Wavelengths. Journal of Chemical Theory and Computation, 8(11), 4425–4433. https://doi.org/10.1021/ct300359s
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
Glad, S. S. & Jensen, F. (1996). Basis set and correlation effects on transition state geometries and kinetic isotope effects. Journal of Physical Chemistry, 100(42), 16892-16898. https://doi.org/10.1021/jp961559h
Warrick, E. R., Baekhoj, J. E., Cao, W., Fidler, A. P., Jensen, F., Madsen, L. B., Leone, S. R. & Neumark, D. M. (2017). Attosecond transient absorption spectroscopy of molecular nitrogen: Vibrational coherences in the b' 1Σ+u statestate+. Chemical Physics Letters, 683, 408-415. https://doi.org/10.1016/j.cplett.2017.02.013

Viser resultater 176 til 200 ud af 226

Forrige

1

2

3

4

5

6

7

8

9

10

Næste

Revideret 06.11.2023
-
Frank Jensen