Department of Chemistry

Aarhus University Seal
 Department of Chemistry Research Research areas and groups Theoretical chemistry Computational Chemistry Publications

Publications

Sort by: Date | Author | Title

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
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
Nivorozhkin, A. L., Toftlund, H., Stein, P. C. & Jensen, F. (1993). Influence of the Chalcogenocarbonyl Group on the Structure of Heterocyclic Analogues of ß-Tricarbonyl Compounds. Synthesis and Structural Features of Shiff Bases Derived from 3-Formyl-4-Thio(seleno)coumarin. Journal of the Chemical Society, Perkin Transactions 2, 2(12), 2423-2428. https://doi.org/10.1039/P29930002423
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. (1993). The stability of cage and ring isomers for carbon and boron nitride clusters. Chemical Physics Letters, 209(4), 417-422. https://doi.org/10.1016/0009-2614(93)80040-V

Displaying results 176 to 200 out of 227

Previous

1

2

3

4

5

6

7

8

9

10

Next

Revised 06.11.2023