Institut for Kemi

Aarhus Universitets segl

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Publikationer fra Institut for Kemi

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Madsen, N. K. K., Hansen, M. B., Christiansen, O. & Zoccante, A. (2020). Time-dependent vibrational coupled cluster with variationally optimized time-dependent basis sets. Journal of Chemical Physics, 153(17), Artikel 174108. https://doi.org/10.1063/5.0024428
Klinting, E. L., Christiansen, O. & König, C. (2020). Toward Accurate Theoretical Vibrational Spectra: A Case Study for Maleimide. The Journal of Physical Chemistry A, 124(13), 2616-2627. https://doi.org/10.1021/acs.jpca.9b11915
Keshavarz, M., Debroye, E., Ottesen, M., Martin, C., Zhang, H., Fron, E., Küchler, R., Steele, J. A., Bremholm, M., Van de Vondel, J., Wang, H. I., Bonn, M., Roeffaers, M. B. J., Wiedmann, S. & Hofkens, J. (2020). Tuning the Structural and Optoelectronic Properties of Cs2AgBiBr6 Double-Perovskite Single Crystals through Alkali-Metal Substitution. Advanced Materials, 32(40), Artikel 2001878. https://doi.org/10.1002/adma.202001878
Balasubramani, S. G., Chen, G. P., Coriani, S., Diedenhofen, M., Frank, M. S., Franzke, Y. J., Furche, F., Grotjahn, R., Harding, M. E., Hättig, C., Hellweg, A., Helmich-Paris, B., Holzer, C., Huniar, U., Kaupp, M., Marefat Khah, A., Karbalaei Khani, S., Müller, T., Mack, F. ... Yu, J. M. (2020). TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations. The Journal of Chemical Physics, 152(18), Artikel 184107 . https://doi.org/10.1063/5.0004635
Guo, Y., Nuermaimaiti, A., Kjeldsen, N. D., Gothelf, K. V. & Linderoth, T. R. (2020). Two-Dimensional Coordination Networks from Cyclic Dipeptides. Journal of the American Chemical Society, 142(47), 19814-19818. https://doi.org/10.1021/jacs.0c08700

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Revideret 01.06.2026
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Institut for Kemi