article published Martin Rohrmüller author Alexander Hoffmann author Christian Thierfelder author Sonja Herres-Pawlis author Wolf Gero Schmidt author 4680000-0002-2717-5076 15 department 170 department 295 department 35 department 230 department 27 department Computing Resources Provided by the Paderborn Center for Parallel Computing project 2015 eng 0192-865110.1002/jcc.23983 3621-221672-1685 Rohrmüller, M., Hoffmann, A., Thierfelder, C., Herres-Pawlis, S., &#38; Schmidt, W. G. (2015). The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†. <i>Journal of Computational Chemistry</i>, <i>36</i>(21–22), 1672–1685. <a href="https://doi.org/10.1002/jcc.23983">https://doi.org/10.1002/jcc.23983</a> M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, and W. G. Schmidt, “The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†,” <i>Journal of Computational Chemistry</i>, vol. 36, no. 21–22, pp. 1672–1685, 2015, doi: <a href="https://doi.org/10.1002/jcc.23983">10.1002/jcc.23983</a>. M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, W.G. Schmidt, Journal of Computational Chemistry 36 (2015) 1672–1685. Rohrmüller, Martin, Alexander Hoffmann, Christian Thierfelder, Sonja Herres-Pawlis, and Wolf Gero Schmidt. “The Cu2O2torture Track for a Real-Life System: [Cu2(Btmgp)2O2]2+oxo and Peroxo Species in Density Functional Calculations†.” <i>Journal of Computational Chemistry</i> 36, no. 21–22 (2015): 1672–85. <a href="https://doi.org/10.1002/jcc.23983">https://doi.org/10.1002/jcc.23983</a>. Rohrmüller, Martin, et al. “The Cu2O2torture Track for a Real-Life System: [Cu2(Btmgp)2O2]2+oxo and Peroxo Species in Density Functional Calculations†.” <i>Journal of Computational Chemistry</i>, vol. 36, no. 21–22, 2015, pp. 1672–85, doi:<a href="https://doi.org/10.1002/jcc.23983">10.1002/jcc.23983</a>. Rohrmüller M, Hoffmann A, Thierfelder C, Herres-Pawlis S, Schmidt WG. The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†. <i>Journal of Computational Chemistry</i>. 2015;36(21-22):1672-1685. doi:<a href="https://doi.org/10.1002/jcc.23983">10.1002/jcc.23983</a> @article{Rohrmüller_Hoffmann_Thierfelder_Herres-Pawlis_Schmidt_2015, title={The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†}, volume={36}, DOI={<a href="https://doi.org/10.1002/jcc.23983">10.1002/jcc.23983</a>}, number={21–22}, journal={Journal of Computational Chemistry}, author={Rohrmüller, Martin and Hoffmann, Alexander and Thierfelder, Christian and Herres-Pawlis, Sonja and Schmidt, Wolf Gero}, year={2015}, pages={1672–1685} } 134982019-09-30T12:48:40Z2025-12-05T10:39:31Z