Kurt Valentin Mikkelsen
Professor
- Published
Nuclear magnetic shielding constants of liquid water: Insights from hybrid quantum mechanics/molecular mechanics models
Kongsted, J., Nielsen, C. B., Mikkelsen, Kurt Valentin, Christiansen, O. & Ruud, K., 2007, In: Journal of Chemical Physics. 126, 3, p. 034510Research output: Contribution to journal › Journal article › Research › peer-review
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Nuclear shielding in liquid water from molecular dynamic simulations
Nymand, T., Åstrand, P. & Mikkelsen, Kurt Valentin, 1997, In: Chemical Physics. 101, p. 4105-Research output: Contribution to journal › Journal article › Research › peer-review
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Næsten usynlig: elektronik på atomniveau
Olsen, S. T., Nielsen, Mogens Brøndsted & Mikkelsen, Kurt Valentin, 2017, In: Dansk Kemi. 98, 11-12, p. 18-21 4 p.Research output: Contribution to journal › Journal article › Communication
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Obtaining enhanced circular dichroism in [4]Heterohelicenium analogues
Elm, J., Jørgensen, J. L., Sørensen, Thomas Just, Laursen, Bo Wegge & Mikkelsen, Kurt Valentin, 2012, In: Journal of Physical Chemistry A. 116, 34, p. 8744-8752 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
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On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding
Kongsted, J., Aidas, K., Mikkelsen, Kurt Valentin & Sauer, Stephan P. A., 2008, In: Journal of Chemical Theory and Computation. 4, 2, p. 267-277Research output: Contribution to journal › Journal article › Research › peer-review
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On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the Coulomb-attenuating CAM-B3LYP density functional
Limacher, P., Mikkelsen, Kurt Valentin & Lüthi, H. P., 2009, In: Journal of Chemical Physics. 130, p. 194114Research output: Contribution to journal › Journal article › Research › peer-review
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On the existence of the H3 tautomer of adenine in aqueous solution. Rationalizations based on hybrid quantum mechanics/molecular mechanics predictions
Aidas, K., Mikkelsen, Kurt Valentin & Kongsted, J., 21 Jan 2010, In: Physical Chemistry Chemical Physics. 12, 3, p. 761-8 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
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On the importance of excited state dynamic response electron correlation in polarizable embedding methods
Eriksen, J. J., Sauer, Stephan P. A., Mikkelsen, Kurt Valentin, Jensen, H. J. A. & Kongsted, J., 2012, In: Journal of Computational Chemistry. 33, 25, p. 2012-2022 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
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On the performance of quantum chemical methods to predict solvatochromic effects. The case of acrolein in aqueous solution
Aidas, K., Møgelhøj, A., Nilsson, E. J. K., Johnson, Matthew Stanley, Mikkelsen, Kurt Valentin, Christiansen, O., Söderhjelm, P. & Kongsted, J., 2008, In: Journal of Chemical Physics. 128, p. 194503-1 to 194503-15 15 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Optical properties of pyridine and methyl-pyridinium in water using DFT/MM
Nielsen, C. B. O. & Mikkelsen, Kurt Valentin, 2015, In: Molecular Physics. 113, 21, p. 3253-3263 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
ID: 7494
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2171
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Direct probing of ion pair formation using a symmetric triangulenium dye
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283
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Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
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263
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Single-molecule detection of dihydroazulene photo-thermal reaction using break junction technique
Research output: Contribution to journal › Journal article › Research › peer-review
Published