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Publikationer

Institut for Kemi er et af de mest produktive institutter på Aarhus Universitet. Der udgives et væld af artikler i videnskabelige tidsskrifter, som du finder herunder.

Publikationer fra Institut for Kemi

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Larsen, H., Jørgensen, P., Olsen, J. & Helgaker, T. (2000). Hartree-Fock and Kohn-Sham atomic-orbital based time-dependent response theory. Journal of Chemical Physics, 113(20), Artikel 8908. https://doi.org/10.1063/1.1318745
Hald, K., Hättig, C., Yeager, D. L. & Jørgensen, P. (2000). Linear response CC2 triplet excitation energies. Chemical Physics Letters, 328(3), 291-301. https://doi.org/10.1016/S0009-2614(00)00933-7
Iversen, B. B., Bentien, A., Palmqvist, A., Bryan, D., Latturner, S., Stucky, G. D., Blake, N., Metiu, H., Nolas, G. S. & Cox, D. (2000). Maximum entropy method charge density distributions of novel thermoelectric clathrates. Materials Research Society Symposium Proceedings, 590, 145-150.
Green-Pedersen, H. & Pind, N. (2000). Preparation, characterization, and sorption properties for Ni(II) of iron oxyhydroxide-montmorillonite. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 168, 133-145.
Bak, M., Thomsen, J. K., Jakobsen, H. J., Petersen, S. E., Petersen, T. E. & Nielsen, N. C. (2000). Solid-state 13C and 31P MAS NMR analysis of urinary stones. J. Urol., 164, 856-863.
Jensen, H. H., Lohse, A., Pedersen, B. O., Duus, J. Ø. & Bols, M. (2000). Synthesis of 3-C-hydroxymethyl- and 3-deoxyisofagomine and investigation of their binding to β-glucosidase. J. Chem. Soc., Perkin Trans. 1, 667-670.
Lohse, A., Jensen, H. H., Bach, P. & Bols, M. (2000). Synthesis of 3-substituted isofagomineanalogues using an unusual syn hydrogenation reaction. J. Chem. Soc., Perkin Trans. 1, 659-665.
Coriani, S., Jørgensen, P., Rizzo, A., Ruud, K. & Olsen, J. (1999). Ab initio determinations of magnetic circular dichroism. Chemical Physics Letters, 300(1-2), 61-68. https://doi.org/10.1016/S0009-2614(98)01315-3
Kristensen, J. H., Bildsøe, H., Jakobsen, H. J. & Nielsen, N. C. (1999). Application of lie algebra to NMR spectroscopy. Progr. NMR Spectrosc, 34, 1-69.
Halkier, A., Helgaker, T., Jørgensen, P., Klopper, W. & Olsen, J. (1999). Basis-set convergence of the energy in molecular Hartree-Fock calculations. Chemical Physics Letters, 302(5-6), 437-446. https://doi.org/10.1016/S0009-2614(99)00179-7
Halkier, A., Klopper, W., Helgaker, T., Jørgensen, P. & Taylor, P. R. (1999). Basis set convergence of the interaction energy of hydrogen-bonded complexes. Journal of Chemical Physics, 111(20), Artikel 9157. https://doi.org/10.1063/1.479830
Halkier, A., Klopper, W., Helgaker, T. & Jørgensen, P. (1999). Basis-set convergence of the molecular electric dipole moment. Journal of Chemical Physics, 111(10), Artikel 4424. https://doi.org/10.1063/1.480036
Jørgensen, K. A., Johannsen, M., Yao, S.-L., Audrain, H. & Thorhauge, J. (1999). Catalytic Asymmetric Addition Reactions of Carbonyls: A Common Catalytic Approach. Accounts of Chemical Research, 32, 605.
Glasius, M. & Kjaer, C. R. (1999). Den ubehagelige ozon. Aktuel Naturvidenskab, (1), 23-25.
Rasmussen, L. K., Johnsen, L. B., Tsiora, A., Sørensen, E. S., Thomsen, J. K., Nielsen, N. C., Jakobsen, H. J. & Petersen, T. E. (1999). Disulphide-linked caseins and casein micelles. International Dairy Journal, 9, 215-218.
Klopper, W., Bak, K. L., Jørgensen, P., Olsen, J. & Helgaker, T. (1999). Highly accurate calculations of molecular electronic structure. Journal of Physics B: Atomic, Molecular and Optical Physics, 32(13), Artikel R103. https://doi.org/10.1088/0953-4075/32/13/201
Vosegaard, T., Andersen, U. & Jakobsen, H. J. (1999). Improved 67Zn Solid-State NMR from Single-Crystals. Zn(CH3COO)2.2H2O. Journal of the American Chemical Society, 121, 1970-1971.
Glasius, M., Carlsen, M. F., Hansen, T. S. & Lohse, C. (1999). Measurements of nitrogen dioxide on Funen using diffusion tubes. Atmospheric Environment, 33, 1177-1185.
Halkier, A., Jaszuński, M. & Jørgensen, P. (1999). Nuclear quadrupole coupling constants in NH4Cl. Physical Chemistry Chemical Physics, 1(18), 4165-4168. https://doi.org/10.1039/a905831a
Untidt, T., Schulte-Herbrüggen, T., Sørensen, O. W. & Nielsen, N. C. (1999). Optimum α/β-HSQC pulse sequences for coherence-order-; spin-state-selective transfer in I2S spin systems. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 103, 8921-8926.
Kristensen, J. H., Bildsøe, H., Jakobsen, H. J. & Nielsen, N. C. (1999). Separation of 2H MAS NMR spectra by two-dimensional spectroscopy. Journal of Magnetic Resonance, 139, 314-333.
Lausen, S. K., Lindgreen, H., Jakobsen, H. J. & Nielsen, N. C. (1999). Solid-state 29Si MAS NMR studies of illite; illite/smectite from shale. American Mineralogist, 84, 1433-1438.
Larsen, F. H., Lipton, A., Jakobsen, H. J., Nielsen, N. C. & Ellis, P. D. (1999). 67Zn QCPMG solid-state NMR studies of zinc complexes as models for metalloproteins. Journal of the American Chemical Society, 121, 3783-3784.