Browsing by Author
Nurkowski, Daniel
Showing results 1 to 9 of 9
| Issue Date | Title | Author(s) |
| 2015 | Ab initio variational transition state theory and master equation study of the reaction (OH)3SiOCH2 + CH3 ⇌ (OH)3SiOC2H5 | Nurkowski, Daniel; Klippenstein, Stephen J.; Georgievskii, Yuri; Verdicchio, Marco; Jasper, Ahren W.; Akroyd, Jethro; Mosbach, Sebastian; Kraft, Markus |
| 2019 | An assessment of the viability of alternatives to biodiesel transport fuels | Kächele, Rebecca; Nurkowski, Daniel; Martin, Jacob; Akroyd, Jethro; Kraft, Markus |
| 2018 | Automated advanced calibration and optimization of thermochemical models applied to biomass gasification and pyrolysis | Kraft, Markus; Bianco, Nicola; Paul, Manosh C.; Brownbridge, George P. E.; Nurkowski, Daniel; Salem, Ahmed M.; Kumar, Umesh; Bhave, Amit N. |
| 2022 | Automated rational design of metal-organic polyhedra | Kondinski, Aleksandar; Menon, Angiras; Nurkowski, Daniel; Farazi, Feroz; Mosbach, Sebastian; Akroyd, Jethro; Kraft, Markus |
| 2019 | An ontology and semantic web service for quantum chemistry calculations | Krdzavac, Nenad; Mosbach, Sebastian; Nurkowski, Daniel; Buerger, Philipp; Akroyd, Jethro; Martin, Jacob; Menon, Angiras; Kraft, Markus |
| 2023 | OntoPESScan: an ontology for potential energy surface scans | Menon, Angiras; Pascazio, Laura; Nurkowski, Daniel; Farazi, Feroz; Mosbach, Sebastian; Akroyd, Jethro; Kraft, Markus |
| 2021 | Predicting power conversion efficiency of organic photovoltaics: models and data analysis | Eibeck, Andreas; Nurkowski, Daniel; Menon, Angiras; Bai, Jiaru; Wu, Jinkui; Zhou, Li; Mosbach, Sebastian; Akroyd, Jethro; Kraft, Markus |
| 2022 | Question answering system for chemistry—a semantic agent extension | Zhou, Xiaochi; Nurkowski, Daniel; Menon, Angiras; Akroyd, Jethro; Mosbach, Sebastian; Kraft, Markus |
| 2017 | Theoretical Study of the Ti–Cl Bond Cleavage Reaction in TiCl4 | Nurkowski, Daniel; Jasper, Ahren W.; Akroyd, Jethro; Kraft, Markus |