20052024

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  • 2021

    2p x-ray absorption spectroscopy of 3d transition metal systems

    de Groot, F. M. F., Elnaggar, H., Frati, F., Wang, R. P., Delgado-Jaime, M. U., van Veenendaal, M., Fernandez-Rodriguez, J., Haverkort, M. W., Green, R. J., van der Laan, G., Kvashnin, Y., Hariki, A., Ikeno, H., Ramanantoanina, H., Daul, C., Delley, B., Odelius, M., Lundberg, M., Kuhn, O. & Bokarev, S. I. & 13 others, Shirley, E., Vinson, J., Gilmore, K., Stener, M., Fronzoni, G., Decleva, P., Kruger, P., Retegan, M., Joly, Y., Vorwerk, C., Draxl, C., Rehr, J. & Tanaka, A., May 2021, In: Journal of Electron Spectroscopy and Related Phenomena. 249, 147061.

    Research output: Contribution to journalReview articlepeer-review

    Open Access
    61 Scopus citations
  • 2020

    Theoretical X-ray spectroscopy of transition metal compounds

    Bokarev, S. I. & Kühn, O., 1 Jan 2020, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 10, 1, e1433.

    Research output: Contribution to journalReview articlepeer-review

    Open Access
    50 Scopus citations
  • 2019

    OpenMolcas: From Source Code to Insight

    Fdez. Galván, I., Vacher, M., Alavi, A., Angeli, C., Aquilante, F., Autschbach, J., Bao, J. J., Bokarev, S. I., Bogdanov, N. A., Carlson, R. K., Chibotaru, L. F., Creutzberg, J., Dattani, N., Delcey, M. G., Dong, S. S., Dreuw, A., Freitag, L., Frutos, L. M., Gagliardi, L. & Gendron, F. & 43 others, Giussani, A., González, L., Grell, G., Guo, M., Hoyer, C. E., Johansson, M., Keller, S., Knecht, S., Kovačević, G., Källman, E., Li Manni, G., Lundberg, M., Ma, Y., Mai, S., Malhado, J. P., Malmqvist, P. Å., Marquetand, P., Mewes, S. A., Norell, J., Olivucci, M., Oppel, M., Phung, Q. M., Pierloot, K., Plasser, F., Reiher, M., Sand, A. M., Schapiro, I., Sharma, P., Stein, C. J., Sørensen, L. K., Truhlar, D. G., Ugandi, M., Ungur, L., Valentini, A., Vancoillie, S., Veryazov, V., Weser, O., Wesołowski, T. A., Widmark, P. O., Wouters, S., Zech, A., Zobel, J. P. & Lindh, R., 12 Nov 2019, In: Journal of Chemical Theory and Computation. 15, 11, p. 5925-5964 40 p.

    Research output: Contribution to journalReview articlepeer-review

    Open Access
    752 Scopus citations
  • 2015

    A theoretical perspective on charge transfer in photocatalysis. The example of Ir-based systems

    Bokarev, S. I., Bokareva, O. S. & Kühn, O., 1 Dec 2015, In: Coordination Chemistry Reviews. 304-305, p. 133-145 13 p.

    Research output: Contribution to journalReview articlepeer-review

    48 Scopus citations