Department of Chemistry

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Publications

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Jensen, F. (1999). Aspects of transition structures in computational chemistry. Dr. Sc. Thesis.
Jeppesen, J. O., Takimiya, K., Jensen, F. & Becher, J. (1999). Pyrrolo annelated tetrathiafulvalenes: The parent systems. Organic Letters, 1(8), 1291-1294. https://doi.org/10.1021/ol9902428
Jensen, F. (1999). The basis set convergence of the Hartree-Fock energy for H2. Journal of Chemical Physics, 110(14), 6601-6605. https://doi.org/10.1063/1.478567
Jensen, F. & Koch, H. (1998). C24. Ring or Fullerene? Journal of Chemical Physics, 108, 3213-3217. https://doi.org/10.1063/1.475716
Clennan, E. L., Chen, M.-F., Greer, A. & Jensen, F. (1998). Experimental and Computational Evidence for the Formation of Iminopersulfinic Acids. Journal of Organic Chemistry, 63(10), 3397-3402. https://doi.org/10.1021/jo9800208
Jensen, F. (1998). Introduction to computational chemistry. Chichester: Wiley.
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
Jensen, F., Greer, A. & Clennan, E. L. (1998). The Reaction of Organic Sulfides with Singlet Oxygen. A Revised Mechanism. Journal of American Chemical Society, 4439-4449. https://doi.org/10.1021/ja973782d
Jensen, F. (1997). Conformations of glycolic acid. Acta Chemica Scandinavica, 51(4), 439-441.
Greer, A., Chen, M.-F., Jensen, F. & Clennan, E. L. (1997). Experimental and ab Initio Computational Evidence for New Peroxidic Intermediates (Iminopersulfinic Acids). Substituent Effects in the Photooxidations of Sulfenic Acid Derivatives. Journal of American Chemical Society, 119, 4380-4387. https://doi.org/10.1021/ja964295l
Glad, S. S. & Jensen, F. (1997). Kinetic Isotope Effects and Transition State Geometries. A Theoretical Investigation of E2 Model Systems. Journal of Organic Chemistry, 62(2), 253-260. https://doi.org/10.1021/jo9618379
Nicolaides, A., Smith, D. M., Jensen, F. & Radom, L. (1997). Phenyl radical, cation, and anion. The triplet-singlet gap and higher excited states of the phenyl cation. Journal of the American Chemical Society, 119(34), 8083-8088. https://doi.org/10.1021/ja970808s
Glad, S. S. & Jensen, F. (1997). Transition State Looseness and α-Secondary Kinetic Isotope Effects. Journal of American Chemical Society, 119, 227-232.
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
Bondensgård, K. & Jensen, F. (1996). Gradient extremal bifurcation and turning points: An application to the HCO potential energy surface. Journal of Chemical Physics, 104(20), 8025-8031. https://doi.org/10.1063/1.471495
Nielsen, P. A., Glad, S. S. & Jensen, F. (1996). Influence of substituents on kinetic isotope effects. Journal of the American Chemical Society, 118(43), 10577-10583. https://doi.org/10.1021/ja961501g
Greer, A., Jensen, F. & Clennan, E. L. (1996). Ring Strain Effect of the Interconversion of Intermediates in the Reaction of Organic Sulfides with Singlet Oxygen. Journal of Organic Chemistry, 61(12), 4107-4110. https://doi.org/10.1021/jo9600114
Jensen, F. (1996). The magnitude of intramolecular basis set superposition error. Chemical Physics Letters, 261(6), 633-636. https://doi.org/10.1016/0009-2614(96)01033-0
Jensen, F. (1995). A theoretical study of the allene effect in [1,n] sigmatropic hydrogen shifts. Journal of the American Chemical Society, 117(28), 7487-7492. https://doi.org/10.1021/ja00133a021
Jensen, F. (1995). Locating transition structures by mode following. A comparison of six methods on the Ar Lennard-Jones potential. Journal of Chemical Physics, 102(17), 6706-6718. https://doi.org/10.1063/1.469144
Medrano, J., Mark, J. E., Jensen, F. & Molnar, F. (1995). Physical Basis for the Small Bandgap Observed in Some Novel Organic Polyradicals. Comp. Pol. Sci., 5, 71-75.
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
Glad, S. S. & Jensen, F. (1994). Ab Initio Study of the Nucleophilic Ring Opening of Ethylene Oxide. Connection Between Secondary Isotope Effects and Transition Structures. Journal of the Chemical Society, Perkin Transactions 2, 2, 871-876. https://doi.org/10.1039/P29940000871
Glad, S. S. & Jensen, F. (1994). Inference of transition state geometries from kinetic isotope effects: An ab initio study of an E2 model system. Journal of the American Chemical Society, 116(20), 9302-9310. https://doi.org/10.1021/ja00099a056
Jensen, F. (1994). Transition Structure Modeling by Intersecting Potential Energy Surfaces. Journal of Computational Chemistry, 15, 1199-1216. https://doi.org/10.1002/jcc.540151103

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