Theoretical Study of the Ti–Cl Bond Cleavage Reaction in TiCl4

由 Nurkowski, Daniel, Jasper, Ahren W., Akroyd, Jethro, Kraft, Markus
出版 2017

An assessment of the viability of alternatives to biodiesel transport fuels

由 Kächele, Rebecca, Nurkowski, Daniel, Martin, Jacob, Akroyd, Jethro, Kraft, Markus
出版 2021

Question answering system for chemistry—a semantic agent extension

由 Zhou, Xiaochi, Nurkowski, Daniel, Menon, Angiras, Akroyd, Jethro, Mosbach, Sebastian, Kraft, Markus
出版 2024

Automated rational design of metal-organic polyhedra

由 Kondinski, Aleksandar, Menon, Angiras, Nurkowski, Daniel, Farazi, Feroz, Mosbach, Sebastian, Akroyd, Jethro, Kraft, Markus
出版 2022

OntoPESScan: an ontology for potential energy surface scans

由 Menon, Angiras, Pascazio, Laura, Nurkowski, Daniel, Farazi, Feroz, Mosbach, Sebastian, Akroyd, Jethro, Kraft, Markus
出版 2023

An ontology and semantic web service for quantum chemistry calculations

由 Krdzavac, Nenad, Mosbach, Sebastian, Nurkowski, Daniel, Buerger, Philipp, Akroyd, Jethro, Martin, Jacob, Menon, Angiras, Kraft, Markus
出版 2021

Ab initio variational transition state theory and master equation study of the reaction (OH)3SiOCH2 + CH3 ⇌ (OH)3SiOC2H5

由 Nurkowski, Daniel, Klippenstein, Stephen J., Georgievskii, Yuri, Verdicchio, Marco, Jasper, Ahren W., Akroyd, Jethro, Mosbach, Sebastian, Kraft, Markus
出版 2015

Predicting power conversion efficiency of organic photovoltaics: models and data analysis

由 Eibeck, Andreas, Nurkowski, Daniel, Menon, Angiras, Bai, Jiaru, Wu, Jinkui, Zhou, Li, Mosbach, Sebastian, Akroyd, Jethro, Kraft, Markus
出版 2022

Automated advanced calibration and optimization of thermochemical models applied to biomass gasification and pyrolysis

由 Kraft, Markus, Bianco, Nicola, Paul, Manosh C., Brownbridge, George P. E., Nurkowski, Daniel, Salem, Ahmed M., Kumar, Umesh, Bhave, Amit N.
出版 2019