@article{UBHD-69198598,
  author={Ehlert, Christopher and Piras, Anna and Gryn’ova, Ganna},
  title={CO2 on graphene},
  subtitle={benchmarking computational approaches to noncovalent interactions},
  year={2023},
  pages={35768-35778},
  language={eng},
  issn={2470-1343},
  volume={8},
  number={39},
  note={Im Titel ist die Zahl 2 tiefgestellt ; Gesehen am 09.04.2024},
  journal={ACS omega},
  doi={10.1021/acsomega.3c03251},
}
@article{UBHD-69055291,
  author={Ernst, Michelle and Poręba, Tomasz and Gn{\"a}gi, Lars and Gryn’ova, Ganna},
  title={Locating guest molecules inside metal-organic framework pores with a multilevel computational approach},
  year={2023},
  pages={523-531},
  language={eng},
  issn={1932-7455},
  volume={127},
  number={1},
  note={Gesehen am 23.03.2023 ; Published online26 December 2022},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcc.2c05561},
}
@article{UBHD-69289085,
  author={Feeney, Thomas and Petry, Julian and Torche, Abderrezak and Hauschild, Dirk and Hacene, Benjamin and Wansorra, Constantin and Diercks, Alexander and Ernst, Michelle and Weinhardt, Lothar and Heske, Clemens and Gryn’ova, Ganna and Paetzold, Ulrich W. and Fassl, Paul},
  title={Understanding and exploiting interfacial interactions between phosphonic acid functional groups and co-evaporated perovskites},
  year={2024},
  pages={2066-2090},
  language={eng},
  issn={2590-2385},
  volume={7},
  number={6 vom: Juni},
  note={Online verf{\"u}gbar 8 March 2024, Version des Artikels 5 June 2024 ; Gesehen am 10.01.2025},
  journal={Matter},
  doi={10.1016/j.matt.2024.02.004},
}
@article{UBHD-69100060,
  author={Llenga, Stiv and Gryn’ova, Ganna},
  title={Matrix of orthogonalized atomic orbital coefficients representation for radicals and ions},
  year={2023},
  pages={1-14},
  language={eng},
  issn={1089-7690},
  volume={158},
  note={Online ver{\"o}ffentlicht: 2. Juni 2023 ; Gesehen am 21.07.2023},
  journal={The journal of chemical physics},
  doi={10.1063/5.0151122},
}
@article{UBHD-69066019,
  author={Piras, Anna and Ehlert, Christopher and Gryn’ova, Ganna},
  title={Sensing and sensitivity},
  subtitle={computational chemistry of graphene-based sensors},
  year={2021},
  pages={1-19},
  language={eng},
  issn={1759-0884},
  volume={11},
  note={Gesehen am 17.04.2023},
  journal={Wiley interdisciplinary reviews},
  doi={10.1002/wcms.1526},
  url={https://doi.org/10.1002/wcms.1526},
  library={UB},
}
@article{UBHD-69115130,
  author={Rennekamp, Benedikt and Karfusehr, Christoph and Kurth, Markus and {\"U}nal, Aysecan and Monego, Debora and Riedmiller, Kai and Gryn’ova, Ganna and Hudson, David M. and Gr{\"a}ter, Frauke},
  title={Collagen breaks at weak sacrificial bonds taming its mechanoradicals},
  year={2023},
  pages={1-11},
  language={eng},
  issn={2041-1723},
  volume={14},
  number={Artikel-ID 2075},
  note={Gesehen am 22.08.2023},
  journal={Nature Communications},
  doi={10.1038/s41467-023-37726-z},
  url={https://doi.org/10.1038/s41467-023-37726-z},
  library={UB},
}
@incollection{UBHD-69056040,
  author={Rennekamp, Benedikt and Karfusehr, Christoph and Kurth, Markus and {\"U}nal, Aysecan and Riedmiller, Kai and Gryn’ova, Ganna and Hudson, David M. and Gr{\"a}ter, Frauke},
  title={Collagen breaks at weak sacrificial bonds taming its mechanoradicals},
  year={2022},
  pages={1-17},
  language={eng},
  note={Gesehen am 27.03.2023},
  booktitle={bioRxiv beta},
  doi={10.1101/2022.10.17.512491},
}
@incollection{UBHD-69041249,
  author={Riedmiller, Kai and Reiser, Patrick and Bobkova, Elizaveta and Maltsev, Kiril and Gryn’ova, Ganna and Friederich, Pascal and Gr{\"a}ter, Frauke},
  title={Predicting reaction barriers of hydrogen atom transfer in proteins},
  edition={Version 1},
  year={2023},
  pages={1-8},
  language={eng},
  note={Gesehen am 14.02.2023},
  booktitle={ChemRxiv},
  doi={10.26434/chemrxiv-2023-7hntk},
}
@book{UBHD-69041233,
  author={Riedmiller, Kai and Reiser, Patrick and Bobkova, Elizaveta and Maltsev, Kiril and Gryn’ova, Ganna and Friederich, Pascal and Gr{\"a}ter, Frauke},
  title={Predicting reaction barriers of hydrogen atom transfer in proteins [data]},
  publisher={Universit{\"a}t},
  address={Heidelberg},
  year={2023},
  pages={1 Online-Ressource (4 Files)},
  language={eng},
  note={Gesehen am 14.02.2023},
  doi={10.11588/data/TGDD4Y},
  url={https://doi.org/10.11588/data/TGDD4Y},
  library={UB},
}
@article{UBHD-69195811,
  author={Riedmiller, Kai and Reiser, Patrick and Bobkova, Elizaveta and Maltsev, Kiril and Gryn’ova, Ganna and Friederich, Pascal and Gr{\"a}ter, Frauke},
  title={Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins},
  year={2024},
  pages={2518-2527},
  language={eng},
  issn={2041-6539},
  volume={15},
  number={7},
  note={Gesehen am 27.03.2024},
  journal={Chemical science},
  doi={10.1039/D3SC03922F},
}
@article{UBHD-68990705,
  author={Sigmund, Lukas M. and Ehlert, Christopher and Enders, Markus and Graf, J{\"u}rgen and Gryn’ova, Ganna and Greb, Lutz},
  title={Dioxygen activation and pyrrole α-cleavage with calix(4)pyrrolato aluminates},
  subtitle={enzyme model by structural constraint},
  year={2021},
  pages={15632-15640},
  language={eng},
  issn={1521-3773},
  volume={60},
  number={28},
  note={First published: 06 May 2021 ; Gesehen am 29.11.2022},
  journal={Angewandte Chemie},
  doi={10.1002/anie.202104916},
  url={https://doi.org/10.1002/anie.202104916},
  library={UB},
}
@article{UBHD-69064580,
  author={Sigmund, Lukas M. and Ehlert, Christopher and Enders, Markus and Graf, J{\"u}rgen and Gryn’ova, Ganna and Greb, Lutz},
  title={Disauerstoffaktivierung und Pyrrol-α-Spaltung mit Calix[4]pyrrolatoaluminaten},
  subtitle={Enzymmodell durch strukturellen Zwang},
  year={2021},
  pages={15761-15769},
  language={ger},
  issn={1521-3757},
  volume={133},
  number={28},
  note={Gesehen am 12.04.2023},
  journal={Angewandte Chemie},
  doi={10.1002/ange.202104916},
  url={https://doi.org/10.1002/ange.202104916},
  library={UB},
}
@article{UBHD-68938887,
  author={Sigmund, Lukas M. and Ehlert, Christopher and Gryn’ova, Ganna and Greb, Lutz},
  title={Stereoinversion of tetrahedral p-block element hydrides},
  year={2022},
  pages={1-11},
  language={eng},
  issn={1089-7690},
  volume={156},
  note={Gesehen am 07.07.2022},
  journal={The journal of chemical physics},
  doi={10.1063/5.0090267},
}