Research

Research units:

Postal address:
Nijenborgh4
9747 AG
Groningen
Netherlands
Phone: +31 50 363 4440
Publications
  1. Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction

    Kathir, R. K., de Graaf, C., Broer, R. & Havenith, R. W. A., 12-May-2020, In : Journal of Chemical Theory and Computation. 16, 5, p. 2941-2951 11 p.

    Research output: Contribution to journalArticleAcademicpeer-review

  2. GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems

    Straatsma, T. P., Broer, R., Faraji, S., Havenith, R. W. A., Suarez, L. E. A., Kathir, R. K., Wibowo, M. & de Graaf, C., 14-Feb-2020, In : The Journal of Chemical Physics. 152, 6, 064111.

    Research output: Contribution to journalArticleAcademicpeer-review

  3. Singlet Fission Rate: Optimized Packing of a Molecular Pair. Ethylene as a Model

    Zaykov, A., Felkel, P., Buchanan, E. A., Jovanovic, M., Havenith, R. W. A., Kathir, R. K., Broer, R., Havlas, Z. & Michl, J., 6-Nov-2019, In : Journal of the American Chemical Society. 141, 44, p. 17729-17743 15 p.

    Research output: Contribution to journalArticleAcademicpeer-review

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