{"publication_identifier":{"issn":["0192-8651"]},"issue":"21-22","language":[{"iso":"eng"}],"title":"The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species in density functional calculations†","year":"2015","date_updated":"2022-01-06T06:51:37Z","volume":36,"author":[{"full_name":"Rohrmüller, Martin","first_name":"Martin","last_name":"Rohrmüller"},{"full_name":"Hoffmann, Alexander","first_name":"Alexander","last_name":"Hoffmann"},{"last_name":"Thierfelder","first_name":"Christian","full_name":"Thierfelder, Christian"},{"full_name":"Herres-Pawlis, Sonja","last_name":"Herres-Pawlis","first_name":"Sonja"},{"orcid":"0000-0002-2717-5076","id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero","last_name":"Schmidt"}],"page":"1672-1685","citation":{"chicago":"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>.","bibtex":"@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} }","apa":"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>","ama":"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>","short":"M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, W.G. Schmidt, Journal of Computational Chemistry 36 (2015) 1672–1685.","mla":"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>.","ieee":"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."},"_id":"13498","type":"journal_article","funded_apc":"1","intvolume":"        36","publication_status":"published","status":"public","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"publication":"Journal of Computational Chemistry","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"}],"doi":"10.1002/jcc.23983","user_id":"16199","date_created":"2019-09-30T12:48:40Z"}