Publications of Christine E. Schulz

Journal Article (3)

2021
Journal Article
Schulz, C. E.; van Gastel, M.; Pantazis, D. A.; Neese, F.: Converged Structural and Spectroscopic Properties for Refined QM/MM Models of Azurin. Inorganic Chemistry 60 (10), pp. 7399 - 7412 (2021)
Journal Article
Schulz, C. E.; Castillo, R. G.; Pantazis, D. A.; DeBeer, S.; Neese, F.: Structure–Spectroscopy Correlations for Intermediate Q of Soluble Methane Monooxygenase: Insights from QM/MM Calculations. Journal of the American Chemical Society 143 (17), pp. 6560 - 6577 (2021)
2018
Journal Article
Schulz, C. E.; Dutta, A. K.; Izsák, R.; Pantazis, D. A.: Systematic High-Accuracy Prediction of Electron Affinities for Biological Quinones. Journal of Computational Chemistry 39 (29), pp. 2439 - 2451 (2018)
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