Department of Chemistry

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Publications

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Jensen, F. (1992). A theoretical study of steric effects in S2 reactions. Chemical Physics Letters, 196(3-4), 368-376. https://doi.org/10.1016/0009-2614(92)85984-I
Jensen, F. (1992). Locating minima on seams of intersecting potential energy surfaces. An application to transition structure modeling. Journal of the American Chemical Society, 114(5), 1596-1603. https://doi.org/10.1021/ja00031a009
Hansen, T. K., Lakshmikantham, M. V., Cave, M. P., Niziurski-Mann, R. E., Jensen, F. & Becher, J. (1992). New Extended π-Electron Donors. Tetrathiafulvalene Systems with Heterocyclic Spacer Groups. Journal of American Chemical Society, 114, 5035-5039. https://doi.org/10.1021/ja00039a013
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. (1992). The Reaction of Organic Sulfides with Singlet Oxygen. A Theoretical Study Including Electron Correlation. Journal of Organic Chemistry, 57(24), 6478–6487. https://doi.org/10.1021/jo00050a022
Lehd, M. & Jensen, F. (1991). A General Procedure for Obtaining Wave Functions Obeying the Virial Theorem. Journal of Computational Chemistry, 12(9), 1089-1096. https://doi.org/10.1002/jcc.540120906
Orfanopoulos, M., Stratakis, M., Elemes, Y. & Jensen, F. (1991). Do Rotational Barriers Dictate the Regioselectivity in the Ene Reaction of Singlet Oxygen and Triazolinediones with Alkenes? Journal of American Chemical Society, 113(8), 3180–3181. https://doi.org/10.1021/ja00008a061
Lehd, M. & Jensen, F. (1991). Improved radical stabilization energies. Journal of Organic Chemistry, 56(2), 884-885. https://doi.org/10.1021/jo00002a078
Scuseria, G. E., Miller, M. D., Jensen, F. & Geertsen, J. (1991). The dipole moment of carbon monoxide. Journal of Chemical Physics, 94(10), 6660-6663. https://doi.org/10.1063/1.460293
Lehd, M. & Jensen, F. (1990). AM1 calculations of substituent effects in retro-Diels-Alder reactions. Journal of Organic Chemistry, 55(3), 1034-1040. https://doi.org/10.1021/jo00290a040
Jensen, F. (1990). A remarkable large effect of spin contamination on calculated vibrational frequencies. Chemical Physics Letters, 169(6), 519-528. https://doi.org/10.1016/0009-2614(90)85641-O
Li, Y., Wang, X., Jensen, F., Houk, K. N. & A. Olah, G. (1990). Energies and Properties of Ions Involved in Electrophilic Halogenations: Singlet and Triplet States of Halogen Cations (X+, X3+ and X42+) and Hydrohalonium Ions (HX2+ and H2X+). Journal of American Chemical Society, 112(10), 3922–3926. https://doi.org/10.1021/ja00166a030
Jensen, F. & Oddershede, J. (1990). Structure and spectra of ClO dimers. Journal of Physical Chemistry, 94(6), 2235-2237.
Besenbacher, F., Jensen, F., Lægsgaard, E., Mortensen, K. & Stensgaard, I. (1990). Visualization of the dynamics in surface reconstructions. J. Vac. Sci. Tech., B9, 874.
Miller, M. D., Jensen, F., Chapman, O. L. & Houk, K. N. (1989). Influence of Basis Sets and Electron Correlation on Theoretically Predicted Infrared Intensities. J. Phys. Chem., 93, 4495-4402.
Bøwadt, S. & Jensen, F. (1989). MNDO calculations on tetrathiafulvalenes. Synthetic Metals, 32(2), 179-190. https://doi.org/10.1016/0379-6779(89)90840-0
Jensen, F. (1989). The [1,3]-Hydrogen Shift in Cyclopropene. Does it Exist? Chemical Physics Letters, 161(4-5), 368-374. https://doi.org/10.1016/0009-2614(89)85100-0
Geertsen, J., Jensen, F. & Scuseria, G. E. (1989). The calculation of electric dipole moments from the polarization propagator. Theory and application. Journal of Chemical Physics, 91(1), 364-367. https://doi.org/10.1063/1.457468
Jensen, F. (1989). The walk rearrangement in bicyclo[2.1.0]pent-2-ene. An MCSCF study. Journal of the American Chemical Society, 111(13), 4643-4647. https://doi.org/10.1021/ja00195a018
Yamaguchi, K., Jensen, F. & Houk, K. N. (1988). A Spin Correction Procedure for Unrestricted Hartree-Fock and Møller-Plesset Wave Functions for Singlet Diradicals and Polyradicals. Chemical Physics Letters, 149(5-6), 537-542. https://doi.org/10.1016/0009-2614(88)80378-6
Pluta, K., Andersen, K. V., Jensen, F. & Becher, J. (1988). Nucleophilic tele-substitution in 2-chloro-3-formylindoles via ring opening-ring closure. Journal of the Chemical Society. Chemical communications, 93(24), 1583-1584. https://doi.org/10.1039/C39880001583
Jensen, F. & Foote, C. S. (1988). Reaction of singlet oxygen with organic sulfides. A theoretical study. Journal of the American Chemical Society, 110(8), 2368-2375. https://doi.org/10.1021/ja00216a004
Vance, R. L., Rondan, N. G., Houk, K. N., Jensen, F., Borden, W. T., Komornicki, A. & Wimmer, E. (1988). Transition structures for the Claisen rearrangement. Journal of the American Chemical Society, 110(7), 2314-2315. https://doi.org/10.1021/ja00215a059
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. & 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

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