@article{UBHD-68411288,
  author={Fransson, Thomas and Dreuw, Andreas},
  title={Simulating X-ray emission spectroscopy with algebraic diagrammatic construction schemes for the polarization propagator},
  year={2019},
  pages={546-556},
  language={eng},
  issn={1549-9626},
  volume={15},
  number={1},
  note={Published: November 27, 2018 ; Gesehen am 23.07.2019},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.8b01046},
}
@article{UBHD-68755654,
  author={Fransson, Thomas and Brumboiu, Iulia E. and Vidal, Marta L. and Norman, Patrick and Coriani, Sonia and Dreuw, Andreas},
  title={XABOOM},
  subtitle={an X-ray absorption benchmark of organic molecules based on carbon, nitrogen, and oxygen 1s → π* transitions},
  year={2021},
  pages={1618-1637},
  language={eng},
  issn={1549-9626},
  volume={17},
  number={3},
  note={Gesehen am 03.07.2021},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.0c01082},
}
@article{UBHD-68468089,
  author={Fransson, Thomas},
  title={X-ray emission spectroscopy as an in situ diagnostic tool for X-ray crystallography of metalloproteins using an X-ray free-electron laser},
  year={2018},
  pages={4629-4637},
  language={eng},
  issn={1520-4995},
  volume={57},
  number={31},
  note={Gesehen am 16.12.2019},
  journal={Biochemistry},
  doi={10.1021/acs.biochem.8b00325},
}
@article{UBHD-68638442,
  author={Herbst, Michael F. and Fransson, Thomas},
  title={Quantifying the error of the core-valence separation approximation},
  year={2020},
  language={eng},
  issn={1089-7690},
  volume={153(2020},
  note={Gesehen am 17.09.2020},
  journal={The journal of chemical physics},
  doi={10.1063/5.0013538},
}
@article{UBHD-68631339,
  author={Ibrahim, Mohamed and Fransson, Thomas and Chatterjee, Ruchira and Cheah, Mun Hon and Hussein, Rana and Lassalle, Louise and Sutherlin, Kyle D. and Young, Iris D. and Fuller, Franklin D. and Gul, Sheraz and Kim, In-Sik and Simon, Philipp S. and Lichtenberg, Casper de and Chernev, Petko and Bogacz, Isabel and Pham, Cindy C. and Orville, Allen M. and Saichek, Nicholas and Northen, Trent and Batyuk, Alexander and Carbajo, Sergio and Alonso-Mori, Roberto and Tono, Kensuke and Owada, Shigeki and Bhowmick, Asmit and Bolotovsky, Robert and Mendez, Derek and Moriarty, Nigel W. and Holton, James M. and Dobbek, Holger and Brewster, Aaron S. and Adams, Paul D. and Sauter, Nicholas K. and Bergmann, Uwe and Zouni, Athina and Messinger, Johannes and Kern, Jan and Yachandra, Vittal K. and Yano, Junko},
  title={Untangling the sequence of events during the S2 → S3 transition in photosystem II and implications for the water oxidation mechanism},
  year={2020},
  pages={12624-12635},
  language={eng},
  issn={1091-6490},
  volume={117},
  number={23},
  note={Gesehen am 26.08.2020},
  journal={Proceedings of the National Academy of Sciences of the United States of America},
  doi={10.1073/pnas.2000529117},
}
@article{UBHD-68445114,
  author={Kern, Jan F. and Chatterjee, Ruchira and Young, Iris D. and Fuller, Franklin D. and Lassalle, Louise and Ibrahim, Mohamed and Gul, Sheraz and Fransson, Thomas and Brewster, Aaron S. and Alonso-Mori, Roberto and Hussein, Rana and Zhang, Miao and Douthit, Lacey and Lichtenberg, Casper de and Cheah, Mun Hon and Shevela, Dmitry and Wersig, Julia and Seuffert, Ina and Sokaras, Dimosthenis and Pastor, Ernest and Weninger, Clemens and Kroll, Thomas and Sierra, Raymond G. and Aller, Pierre and Butryn, Agata and Orville, Allen M. and Liang, Mengning and Batyuk, Alexander and Koglin, Jason E. and Carbajo, Sergio and Boutet, Sébastien and Moriarty, Nigel W. and Holton, James M. and Dobbek, Holger and Adams, Paul D. and Bergmann, Uwe and Sauter, Nicholas K. and Zouni, Athina and Messinger, Johannes and Yano, Junko and Yachandra, Vittal K.},
  title={Structures of the intermediates of Kok’s photosynthetic water oxidation clock},
  year={2018},
  pages={421-425},
  language={eng},
  issn={1476-4687},
  volume={563},
  number={7731},
  note={Gesehen am 24.10.2019},
  journal={Nature},
  doi={10.1038/s41586-018-0681-2},
}
@article{UBHD-68795072,
  author={Rabe, Patrick and Kamps, Jos J. A. G. and Sutherlin, Kyle D. and Linyard, James D. S. and Aller, Pierre and Pham, Cindy C. and Makita, Hiroki and Clifton, Ian and McDonough, Michael A. and Leissing, Thomas M. and Shutin, Denis and Lang, Pauline A. and Butryn, Agata and Brem, J{\"u}rgen and Gul, Sheraz and Fuller, Franklin D. and Kim, In-Sik and Cheah, Mun Hon and Fransson, Thomas and Bhowmick, Asmit and Young, Iris D. and O’Riordan, Lee and Brewster, Aaron S. and Pettinati, Ilaria and Doyle, Margaret and Joti, Yasumasa and Owada, Shigeki and Tono, Kensuke and Batyuk, Alexander and Hunter, Mark S. and Alonso-Mori, Roberto and Bergmann, Uwe and Owen, Robin L. and Sauter, Nicholas K. and Claridge, Timothy D. W. and Robinson, Carol V. and Yachandra, Vittal K. and Yano, Junko and Kern, Jan F. and Orville, Allen M. and Schofield, Christopher J.},
  title={X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis},
  year={2021},
  pages={1-14},
  language={eng},
  issn={2375-2548},
  volume={7},
  note={Gesehen am 29.10.2021},
  journal={Science advances},
  doi={10.1126/sciadv.abh0250},
}
@article{UBHD-69066003,
  author={Rehn, Dirk R. and Rinkevicius, Zilvinas and Herbst, Michael F. and Li, Xin and Scheurer, Maximilian and Brand, Manuel and Dempwolff, Adrian and Brumboiu, Iulia E. and Fransson, Thomas and Dreuw, Andreas and Norman, Patrick},
  title={Gator},
  subtitle={a Python-driven program for spectroscopy simulations using correlated wave functions},
  year={2021},
  pages={1-12},
  language={eng},
  issn={1759-0884},
  volume={11},
  note={Gesehen am 17.04.2023},
  journal={Wiley interdisciplinary reviews},
  doi={10.1002/wcms.1528},
  url={https://doi.org/10.1002/wcms.1528},
  library={UB},
}
@article{UBHD-68646197,
  author={Scheurer, Maximilian and Fransson, Thomas and Norman, Patrick and Dreuw, Andreas and Rehn, Dirk R.},
  title={Complex excited state polarizabilities in the ADC/ISR framework},
  year={2020},
  pages={12 S.},
  language={eng},
  issn={1089-7690},
  volume={153(2020},
  note={Gesehen am 08.10.2020},
  journal={The journal of chemical physics},
  doi={10.1063/5.0012120},
}
@article{UBHD-68655317,
  author={Srinivas, Vivek and Banerjee, Rahul and Lebrette, Hugo and Jones, Jason C. and Aurelius, Oskar and Kim, In-Sik and Pham, Cindy C. and Gul, Sheraz and Sutherlin, Kyle D. and Bhowmick, Asmit and John, Juliane and Bozkurt, Esra and Fransson, Thomas and Aller, Pierre and Butryn, Agata and Bogacz, Isabel and Simon, Philipp and Keable, Stephen and Britz, Alexander and Tono, Kensuke and Kim, Kyung Sook and Park, Sang-Youn and Lee, Sang Jae and Park, Jaehyun and Alonso-Mori, Roberto and Fuller, Franklin D. and Batyuk, Alexander and Brewster, Aaron S. and Bergmann, Uwe and Sauter, Nicholas K. and Orville, Allen M. and Yachandra, Vittal K. and Yano, Junko and Lipscomb, John D. and Kern, Jan and H{\"o}gbom, Martin},
  title={High-resolution XFEL structure of the soluble methane monooxygenase hydroxylase complex with its regulatory component at ambient temperature in two oxidation states},
  year={2020},
  pages={14249-14266},
  language={eng},
  issn={1520-5126},
  volume={142},
  number={33},
  note={Gesehen am 29.10.2020},
  journal={Journal of the American Chemical Society},
  doi={10.1021/jacs.0c05613},
}
@article{UBHD-68560554,
  author={Zhovtobriukh, Iurii and Fransson, Thomas},
  title={Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water},
  year={2018},
  pages={14 S.},
  language={eng},
  issn={1089-7690},
  volume={148(2019) Artikel-Nummer 144507},
  number={14 Seiten},
  note={Gesehen am 02.04.2020},
  journal={The journal of chemical physics},
  doi={10.1063/1.5009457},
}