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Department of Chemistry

Publications

The Department of Chemistry is one of the most productive departments at Aarhus University. A considerable number of articles are published every year.

Publications from Department of Chemistry

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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

Britz, D. (1990). Cold fusion: an historical parallel. Centaurus, 33, 368-372.

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

Britz, D., Divisek, J. & Jung, R. (1990). Potential distribution and electrode stability in a bipolar electrolysis cell. Journal of Applied Electrochemistry, 20, 186-195.

Ogilby, P. R., Kristiansen, M. & Clough, R. L. (1990). Singlet oxygen formation in a solid organic polymer upon irradiation of the oxygen-polymer charge-transfer band. Macromolecules, 23(10), 2698-2704. https://www.scopus.com/inward/record.uri?eid=2-s2.0-0025420802&partnerID=40&md5=ca8177672762a6dda6be4479a5777e7c

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

Britz, D. & Antonia, R. A. (1990). Structure of large-scale vorticity in a turbulent far wake. Journal of Fluid Mechanics, 218, 463-482.

Britz, D., Marques da Silva, B., Avaca, L. A. & Gonzales, E. R. (1990). The Saul'yev method of digital simulation under derivative boundary conditions. Analytica Chimica Acta, 239, 87-93.

Besenbacher, F., Jensen, F., Lægsgaard, E., Mortensen, K. & Stensgaard, I. (1990). Visualization of the dynamics in surface reconstructions. J. Vac. Sci. Tech., B9, 874.

Petek, H., Nesbitt, D. J., Darwin, D. C., Ogilby, P. R., Moore, C. B. & Ramsay, D. A. (1989). Analysis of CH2 ã 1A1 (1,0,0) and (0,0,1) Coriolis-coupled states, ã 1A1-X̃ 3B1 spin-orbit coupling, and the equilibrium structure of CH2 ã 1A1 state. The Journal of Chemical Physics, 91(11), 6566-6578. https://www.scopus.com/inward/record.uri?eid=2-s2.0-29644445483&partnerID=40&md5=ebcf35108d64355c1ffa41ff8d31b6b2

Clough, R. L., Dillon, M. P., Iu, K.-K. & Ogilby, P. R. (1989). Behavior of singlet molecular oxygen (1ΔgO2) in a polymer matrix. Effects of temperature, matrix rigidity, and molecular composition. Macromolecules, 22(9), 3620-3628. https://www.scopus.com/inward/record.uri?eid=2-s2.0-0024739212&partnerID=40&md5=521c65b4a11596302dbb77683998dd08

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

Britz, D. & Antonia, R. A. (1989). Phase-averaging in the turbulent far-wake. Experiments in Fluids, 7, 138-142.

Ogilby, P. R. (1989). Radiative lifetime of singlet molecular oxygen (1ΔgO2). Journal of Physical Chemistry, 93(11), 4691-4692. https://www.scopus.com/inward/record.uri?eid=2-s2.0-5644243167&partnerID=40&md5=c4bddada4801fb1db887354383fad00f

Scurlock, R. D. & Ogilby, P. R. (1989). Singlet molecular oxygen (1ΔgO2) formation upon irradiation of an oxygen (3Σg -O2)-organic molecule charge-transfer absorption band. Journal of Physical Chemistry, 93(14), 5493-5500. https://www.scopus.com/inward/record.uri?eid=2-s2.0-0000571101&partnerID=40&md5=d05911fb979b6ee9e935f19d7de357ad

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 , 1989(11), 2099-2107. https://doi.org/10.1039/DT9890002099

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

Britz, D. (1988). Electrochemical digital simulation by Runge-Kutta integration. Journal of Electroanalytical Chemistry, 240, 17-26.

Iu, K. K. & Ogilby, P. R. (1988). Formation of singlet molecular oxygen (1ΔgO2) in a solution-phase photosensitized reaction. 2. A comment on static quenching. Journal of Physical Chemistry, 92(16), 4662-4666. http://www.scopus.com/inward/record.url?scp=0000314055&partnerID=8YFLogxK

Britz, D., Heinze, J., Mortensen, J. & Störzbach, M. (1988). Implicit calculation of boundary values in digital simulation applied to several types of electrochemcial experiment. Journal of Electroanalytical Chemistry, 240, 27-43.

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

Clough, R. L., Iu, K. K., Dillon, M. P. & Ogilby, P. R. (1988). Singlet oxygen behavior in solid polymer matrices. Polymer Preprints, 9(1), 550-551.

Scurlock, R. D. & Ogilby, P. R. (1988). Spectroscopic evidence for the formation of singlet molecular oxygen (1ΔgO2) upon irradiation of a solvent-oxygen (3Σg -O2) cooperative absorption band. Journal of the American Chemical Society, 110(2), 640-641.

Britz, D., Shah, D. A. & Antonia, R. A. (1988). The fine-scale intermittency of turbulence. Physics of Fluids, 31, 1431-1438.

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

Britz, D. & Antonia, R. A. (1987). A computer algorithm for the identification of temperature fronts in a turbulent shear flow. Experiments in Fluids, 5, 134-149.

Iu, K. K. & Ogilby, P. R. (1987). A time-resolved study of singlet molecular oxygen (1ΔgO2) formation in a solution-phase photosensitized reaction: A new experimental technique to examine the dynamics of quenching by oxygen. Journal of Physical Chemistry, 91(6), 1611-1617. http://www.scopus.com/inward/record.url?scp=0041956567&partnerID=8YFLogxK

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

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

Scurlock, R. D. & Ogilby, P. R. (1987). Effect of solvent on the rate constant for the radiative deactivation of singlet molecular oxygen (1ΔgO2). Journal of Physical Chemistry, 91(17), 4599-4602. http://www.scopus.com/inward/record.url?scp=0000814041&partnerID=8YFLogxK

Britz, D. & Thomsen, K. (1987). Electrochemical digital simulation: re-evaluation of the Crank-Nicolson scheme. Analytica Chimica Acta, 194, 317-322.

Britz, D. (1987). Investigation of the relative merit of some n-point current approximations in digital simulations. Application to an improved algorithm for quasireversible systems. Analytica Chimica Acta, 193, 277-285.

Scurlock, R. D., Iu, K. K. & Ogilby, P. R. (1987). Luminescence from optical elements commonly used in near-IR spectroscopic studies: the photosensitized formation of singlet molecular oxygen (1Δg) in solution. Journal of Photochemistry, 37(2), 247-255. https://doi.org/10.1016/0047-2670(87)85005-0

Britz, D., Antonia, R. A., Shah, D. A. & Chambers, A. J. (1987). On the fine scale intermittency of turbulence. Experiments in Fluids, 5, 282-283.

Jensen, F. & Foote, C. S. (1987). Reaction of 4-phenyl-1,2,4-triazoline-3,5-dione with substituted butadienes. A nonconcerted Diels-Alder reaction. Journal of the American Chemical Society, 109(21), 6376-6385. https://doi.org/10.1021/ja00255a024

Iu, K. K., Scurlock, R. D. & Ogilby, P. R. (1987). The characterization of germanium p-n junction detectors for use in nanosecond time-resolved near-IR-spectroscopic studies: the photosensitized formation of singlet molecular oxygen (1Δg) in solution. Journal of Photochemistry, 37(1), 19-32. https://doi.org/10.1016/0047-2670(87)85023-2

Ogilby, P. R., Iu, K. K. & Clough, R. L. (1987). The photosensitized production of singlet molecular oxygen (1ΔgO2) in a solid organic polymer glass: A direct time-resolved study. Journal of the American Chemical Society, 109(15), 4746-4747.

Britz, D. & Antonia, R. A. (1986). A multipoint method for detecting coherent features in a turbulent shear flow. Fluid Dynamics Research, 1, 93-106.

Britz, D., Antonia, R. A., Chambers, A. J. & Browne, L. W. B. (1986). Organized structures in a turbulent plane jet: topology and contribution to momentum and heat transport. Journal of Fluid Mechanics, 172, 211-229.

Britz, D. & Antonia, R. A. (1985). A note on the spectrum of the time structure function. Zeitschrift fuer Angewandte Mathematik und Mechanik, 65, 319-321.

Britz, D., Antonia, R. A., Browne, L. W. B. & Chambers, A. J. (1984). A comparison of properties of temporal and spatial temperature increments in a turbulent plane jet. Physics of Fluids, 27, 87-93.

Britz, D. (1984). The use of a computer in the corrosion laboratory. In Computer Aided Acquisition and Analysis of Corrosion Data. Proceedings, the Electrochemical Society (3 ed., Vol. 85, pp. 13-22).

Dobrowolski, D. C., Ogilby, P. R. & Foote, C. S. (1983). 9,10-Dicyanoanthracene Sensitized Production of Singlet Molecular Oxygen. Journal of Physical Chemistry, 87(13), 2261-2263. https://doi.org/10.1021/j100236a001

Ogilby, P. R. & Foote, C. S. (1983). Chemistry of singlet oxygen. 42. Effect of solvent, solvent isotopic substitution, and temperature on the lifetime of singlet molecular oxygen (1Δg). Journal of the American Chemical Society, 105(11), 3423-3430.

Displaying results 5151 to 5200 out of 5242

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Department of Chemistry