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Institut for Biologi

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Følg med i de senest publicerede videnskabelige artikler fra Institut for Biologi. Oversigten viser Instituttets publikationer med de nyeste øverst:

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Storgaard, M. S., Sanderson, H. & Baatrup, E. (2016). Environmental toxicity of Chemical Warfare Agents (CWAs) - MicrotoxTM and Spontaneous Locomotor Changes. Poster-session præsenteret på SETAC, Nantes.

Coriani, S., Jørgensen, P., Christiansen, O. & Gauss, J. (2000). Triple excitation effects in coupled cluster calculations of Verdet constants. Chemical Physics Letters, 330(3-4), 463-470. https://doi.org/10.1016/S0009-2614(00)01104-0

Coriani, S., Hättig, C., Jørgensen, P. & Helgaker, T. (2000). Gauge-origin independent magneto-optical activity within coupled cluster response theory. Journal of Chemical Physics, 113(9), Artikel 3561. https://doi.org/10.1063/1.1287833

Bak, K. L., Jørgensen, P., Olsen, J., Helgaker, T. & Gauss, J. (2000). Coupled-cluster singles, doubles and triples (CCSDT) calculations of atomization energies. Chemical Physics Letters, 317(1-2), 116-122. https://doi.org/10.1016/S0009-2614(99)01315-9

Olsen, J., Jørgensen, P., Helgaker, T. & Christiansen, O. (2000). Divergence in Møller-Plesset theory: A simple explanation based on a two-state model. Journal of Chemical Physics, 112(22), Artikel 9736. https://doi.org/10.1063/1.481611

Bak, K. L., Jørgensen, P., Olsen, J., Helgaker, T. & Klopper, W. (2000). Accuracy of atomization energies and reaction enthalpies in standard and extrapolated electronic wave function/basis set calculations. Journal of Chemical Physics, 112(21), Artikel 9229. https://doi.org/10.1063/1.481544

Larsen, H., Halkier, A., Olsen, J. & Jørgensen, P. (2000). On the divergent behavior of Møller-Plesset perturbation theory for the molecular electric dipole moment. Journal of Chemical Physics, 112(3), Artikel 1107. https://doi.org/10.1063/1.480665

Bak, K. L., Gauss, J., Helgaker, T., Jørgensen, P. & Olsen, J. (2000). The accuracy of molecular dipole moments in standard electronic structure calculations. Chemical Physics Letters, 319(5-6), 563-568. https://doi.org/10.1016/S0009-2614(00)00198-6

Hald, K., Hättig, C. & Jørgensen, P. (2000). Triplet excitation energies in the coupled cluster singles and doubles model using an explicit triplet spin coupled excitation space. Journal of Chemical Physics, 113(18), Artikel 7765. https://doi.org/10.1063/1.1316033

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

Larsen, H., Olsen, J., Jørgensen, P. & Christiansen, O. (2000). Full configuration interaction benchmarking of coupled-cluster models for the lowest singlet energy surfaces of N₂. Journal of Chemical Physics, 113(16), Artikel 6677. https://doi.org/10.1063/1.1311294, https://doi.org/10.1063/1.1373429

Coriani, S., Halkier, A., Jørgensen, P., Gauss, J., Christiansen, O. & Rizzo, A. (2000). Coupled cluster investigation of Sternheimer shieldings and electric field gradient polarizabilities. Journal of Chemical Physics, 113(5), Artikel 1688. https://doi.org/10.1063/1.481970

Helgaker, T., Larsen, H., Olsen, J. & Jørgensen, P. (2000). Direct optimization of the AO density matrix in Hartree-Fock and Kohn-Sham theories. Chemical Physics Letters, 327(5-6), 397-403. https://doi.org/10.1016/S0009-2614(00)00814-9

Feuchtner, T., Walter , R. & Müller, J. (2016). Interruption and Pausing of Public Display Games. I Proceedings of the 18th International Conference on Human-Computer Interaction with Mobile Devices and Services, MobileHCI 2016: MobileHCI '16 (s. 306-317). Association for Computing Machinery. https://doi.org/10.1145/2935334.2935335

Christiansen, O., Hättig, C. & Jørgensen, P. (1999). Ground and excited state polarizabilities and dipole transition properties of benzene from coupled cluster response theory. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 55(3), 509-524. https://doi.org/10.1016/S1386-1425(98)00259-5

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

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

Hättig, C., Larsen, H., Olsen, J., Jørgensen, P., Koch, H., Fernández, B. & Rizzo, A. (1999). The effect of intermolecular interactions on the electric properties of helium and argon. I. Ab initio calculation of the interaction induced polarizability and hyperpolarizability in He2 and Ar2. Journal of Chemical Physics, 111(22), 10099-10107. https://doi.org/10.1063/1.480361

Koch, H., Hättig, C., Larsen, H., Olsen, J., Jørgensen, P., Fernández, B. & Rizzo, A. (1999). The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficients. Journal of Chemical Physics, 111(22), Artikel 10108. https://doi.org/10.1063/1.480362

Andreasen, E. S., Gordon, C. S., Chandra, S., Sridharan, M., Tip, F. & Sen, K. (2016). Trace Typing: An Approach for Evaluating Retrofitted Type Systems. I S. Krishnamurthi & B. S. Lerner (red.), 30th European Conference on Object-Oriented Programming (ECOOP 2016) (s. 231-239, 2310-2328). Dagstuhl Publishing. http://arxiv.org/abs/1605.01362

Madsen, M., Tip, F., Andreasen, E. S., Sen, K. & Møller, A. (2016). Feedback-directed instrumentation for deployed JavaScript applications. I Proceedings - 2016 IEEE/ACM 38th IEEE International Conference on Software Engineering Companion, ICSE 2016: ICSE 2016 (s. 899-910). Association for Computing Machinery. https://doi.org/10.1145/2884781.2884846

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

Christiansen, O., Gauss, J., Stanton, J. F. & Jørgensen, P. (1999). The electronic spectrum of pyrrole. Journal of Chemical Physics, 111(2), Artikel 525. https://doi.org/10.1063/1.479332

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

Arribas-Layton, M., Dennis, J., Bennett, E., Damgaard, C. K. & Lykke-Andersen, J. (2016). The C-terminal RGG domain of human Lsm4 promotes processing body formation stimulated by arginine dimethylation. Molecular and Cellular Biology, 36(17), 2226-2235. https://doi.org/10.1128/MCB.01102-15

Larsen, H., Olsen, J., Hättig, C., Jørgensen, P., Christiansen, O. & Gauss, J. (1999). Polarizabilities and first hyperpolarizabilities of HF, Ne, and BH from full configuration interaction and coupled cluster calculations. Journal of Chemical Physics, 111(5), Artikel 1917. https://doi.org/10.1063/1.479460

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

Halkier, A., Larsen, H., Olsen, J. & Jørgensen, P. (1999). Divergent behavior of Møller-Plesset perturbation theory for molecular electric dipole and quadrupole moments. Journal of Chemical Physics, 110(15), Artikel 7127. https://doi.org/10.1063/1.478663

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

Christiansen, O., Jørgensen, P. & Hättig, C. (1998). Response functions from fourier component variational perturbation theory applied to a time-averaged quasienergy. International Journal of Quantum Chemistry, 68(1), 1-52. https://doi.org/10.1002/(SICI)1097-461X(1998)68:1<1::AID-QUA1>3.0.CO;2-Z

Hättig, C., Christiansen, O. & Jørgensen, P. (1998). Frequency-dependent second hyperpolarizabilities using coupled cluster cubic response theory. Chemical Physics Letters, 282(2), 139-146. https://doi.org/10.1016/S0009-2614(97)01227-X

Hättig, C., Christiansen, O., Coriani, S. & Jørgensen, P. (1998). Static and frequency-dependent polarizabilities of excited singlet states using coupled cluster response theory. Journal of Chemical Physics, 109(21), Artikel 9237. https://doi.org/10.1063/1.477582

Christiansen, O., Halkier, A., Koch, H., Jørgensen, P. & Helgaker, T. (1998). Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties. Journal of Chemical Physics, 108(7), Artikel 2801. https://doi.org/10.1063/1.475671

Christiansen, O. & Jørgensen, P. (1998). The electronic spectrum of furan. Journal of the American Chemical Society, 120(14), 3423-3430. https://doi.org/10.1021/ja973437o

Hättig, C. & Jørgensen, P. (1998). Estimate of the experimental static hyperpolarizability of neon based on coupled cluster response calculations. Chemical Physics Letters, 283(1-2), 109-113. https://doi.org/10.1016/S0009-2614(97)01309-2

Coriani, S., Hättig, C., Jørgensen, P., Halkier, A. & Rizzo, A. (1997). Coupled cluster calculations of Verdet constants. Chemical Physics Letters, 281(4-6), 445-451. https://doi.org/10.1016/S0009-2614(97)01286-4

Hättig, C., Koch, H. & Jørgensen, P. (1998). Comment on "frequency-dependent equation-of-motion coupled cluster hyperpolarizabilities: Resolution of the discrepancy between theory and experiment for HF?" [J. Chem. Phys. 107, 10823 (1997)]. Journal of Chemical Physics, 109(8), Artikel 3293. https://doi.org/10.1063/1.476512

Hättig, C., Christiansen, O. & Jørgensen, P. (1998). Multiphoton transition moments and absorption cross sections in coupled cluster response theory employing variational transition moment functionals. Journal of Chemical Physics, 108(20), Artikel 8331. https://doi.org/10.1063/1.476261

Hättig, C., Christiansen, O. & Jørgensen, P. (1998). Coupled cluster response calculations of two-photon transition probability rate constants for helium, neon and argon. Journal of Chemical Physics, 108(20), Artikel 8355. https://doi.org/10.1063/1.476262

Hättig, C. & Jørgensen, P. (1998). Dispersion coefficients for first hyperpolarizabilities using coupled cluster quadratic response theory. Theoretical Chemistry Accounts, 100(1), 230-240. https://doi.org/10.1007/s002140050384

Hättig, C. & Jørgensen, P. (1998). Derivation of coupled cluster excited states response functions and multiphoton transition moments between two excited states as derivatives of variational functionals. Journal of Chemical Physics, 109(21), Artikel 9219. https://doi.org/10.1063/1.477581

Larsen, H., Hättig, C., Olsen, J. & Jørgensen, P. (1998). A basis set study of coupled cluster and full configuration interaction calculations of molecular electric properties for BH. Chemical Physics Letters, 291(5-6), 536-546. https://doi.org/10.1016/S0009-2614(98)00597-1

Halkier, A., Helgaker, T., Jørgensen, P., Klopper, W., Koch, H., Olsen, J. & Wilson, A. K. (1998). Basis-set convergence in correlated calculations on Ne, N₂ , and H₂O. Chemical Physics Letters, 286(3-4), 243-252. https://doi.org/10.1016/S0009-2614(98)00111-0

Åstrand, P.-O., Mikkelsen, K. V., Jørgensen, P., Ruud, K. & Helgaker, T. (1998). Solvent effects on nuclear shieldings and spin-spin couplings of hydrogen selenide. Journal of Chemical Physics, 108(6), Artikel 2528. https://doi.org/10.1063/1.475656

Halkier, A., Coriani, S. & Jørgensen, P. (1998). The molecular electric quadrupole moment of N₂. Chemical Physics Letters, 294(4-5), 292-296. https://doi.org/10.1016/S0009-2614(98)00878-1

Coriani, S., Hättig, C., Jørgensen, P., Rizzo, A. & Ruud, K. (1998). Coupled cluster investigation of the electric-field-gradient-induced birefringence of H₂, N₂, C₂H₂, and CH₄. Journal of Chemical Physics, 109(17), Artikel 7176. https://doi.org/10.1063/1.477399

Hättig, C. & Jørgensen, P. (1998). Coupled cluster calculations of the frequency-dependent second hyperpolarizabilities of Ne, Ar, N₂, and CH₄. Journal of Chemical Physics, 109(7), Artikel 2762. https://doi.org/10.1063/1.476833

Koch, H., Christiansen, O., Jørgensen, P., Sanchez De Merás, A. M. & Helgaker, T. (1997). The CC3 model: An iterative coupled cluster approach including connected triples. Journal of Chemical Physics, 106(5), Artikel 1808. https://doi.org/10.1063/1.473322

Helgaker, T., Gauss, J., Jørgensen, P. & Olsen, J. (1997). The prediction of molecular equilibrium structures by the standard electronic wave functions. Journal of Chemical Physics, 106(15), Artikel 6430. https://doi.org/10.1063/1.473634

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Anne Kirstine Mehlsen