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Department of Biology

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The most recently published scientific articles from the Department of Biology. The overview shows the Department's publications with the latest at the top:

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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), Article 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. In Proceedings of the 18th International Conference on Human-Computer Interaction with Mobile Devices and Services, MobileHCI 2016: MobileHCI '16 (pp. 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), Article 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. In S. Krishnamurthi & B. S. Lerner (Eds.), 30th European Conference on Object-Oriented Programming (ECOOP 2016) (pp. 11-126). Dagstuhl Publishing. https://doi.org/10.4230/LIPIcs.ECOOP.2016.1

Madsen, M., Tip, F., Andreasen, E. S., Sen, K. & Møller, A. (2016). Feedback-directed instrumentation for deployed JavaScript applications. In Proceedings - 2016 IEEE/ACM 38th IEEE International Conference on Software Engineering Companion, ICSE 2016: ICSE 2016 (pp. 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), Article 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), Article 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), Article 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), Article 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), Article 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), Article 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), Article 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), Article 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), Article 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), Article 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), Article 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), Article 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), Article 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), Article 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), Article 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), Article 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), Article 6430. https://doi.org/10.1063/1.473634

Hättig, C., Christiansen, O., Koch, H. & Jørgensen, P. (1997). Frequency-dependent first hyperpolarizabilities using coupled cluster quadratic response theory. Chemical Physics Letters, 269(5-6), 428-434. https://doi.org/10.1016/S0009-2614(97)00311-4

Christiansen, O., Halkier, A. & Jørgensen, P. (1997). Coupled cluster calculations of the polarizability of furan. Chemical Physics Letters, 281(4-6), 438-444. https://doi.org/10.1016/S0009-2614(97)01258-X

Ruud, K., Helgaker, T. & Jørgensen, P. (1997). The effect of correlation on molecular magnetizabilities and rotational g tensors. Journal of Chemical Physics, 107(24), Article 10599. https://doi.org/10.1063/1.474174

Lewis, R., de Bello, F., A Bennett, J., Fibich, P., E Finerty, G., Götzenberger, L., Hiiesalu, I., Kasari, L., Lepš, J., Májeková, M., Mudrák, O., Riibak, K., Ronk, A., Rychtecká, T., Vitová, A. & Pärtel, M. (2017). Applying the dark diversity concept to nature conservation. Conservation Biology, 31(1), 40-47. https://doi.org/10.1111/cobi.12723

A Bennett, J., Riibak, K., Tamme, R., Lewis, R. & Pärtel, M. (2016). The reciprocal relationship between competition and intraspecific trait variation. Journal of Ecology, 104(5), 1410-1420. https://doi.org/10.1111/1365-2745.12614

Lewis, R., Marrs, R. H., Pakeman, R. J., Milligan, G. & Lennon, J. (2016). Climate drives temporal replacement and nested-resultant richness patterns of Scottish coastal vegetation. Ecography, 39(8), 754-762. https://doi.org/10.1111/ecog.01753

Madsen, T. M., Christensen, S., Poulsen, S. E. & Sørensen, I. (2015). The effect of thermal depletion on the performance of a ground source heat pump system. Poster session presented at AquaConSoil, Copenhagen, Denmark.

Madsen, T. M., Christensen, S., Poulsen, S. E. & Sørensen, I. (2015). Analyse af varmelagringens betydning for effektiviteten af jordvarmeboringer. Abstract from ATV Vintermøde 2015, Vingsted, Denmark.

Madsen, T. M., Christensen, S., Poulsen, S. E. & Sørensen, I. (2015). Analysis of impact of heat extraction from soil with low thermal conductivity. Paper presented at 1st Workshop of Numerical Geothermal Simulation, Germany, 8.-9. April 2015., Germany.

Madsen, T. M. & Christensen, S. (2016). From innovation to commercial market – understanding technological innovation systems. Abstract from 2nd Yound Water Professionals Denmark Conference and Workshop, Aarhus, Denmark.

Madsen, T. M. & Christensen, S. (2016). The hydrogeological impact on the performance of borehole heat exchangers. (pp. 1-12).

Madsen, T. M., Christensen, S., Poulsen, S. E. & Sørensen, I. (2016). A numerical simulation study on the long-term performance of a ground source heat pump system. (pp. 1-13).

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Anne Kirstine Mehlsen