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"Fully Automated Quantum-Chemistry-Based Computation of Spin–Spin-Coupled Nuclear Magnetic"
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L. Goerigk, A. Hansen, C. Bauer, S. Ehrlich, A. Najibi, S, Grimme,
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S. Grimme, C. Bannwarth, E. Caldeweyher, J. Pisarek, A. Hansen
"A general intermolecular force field based on tight-binding quantum chemical calculations"
J. Chem. Phys. (2017), 147, 161708.

J. Seibert, C. Bannwarth, S. Grimme
"Biomolecular Structure Information from High-Speed Quantum Mechanical Electronic Spectra Calculation"
J. Am. Chem. Soc. (2017), 139, 11682-11685

S. Grimme, C. Bannwarth, P. Shushkov
"A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1-86)"
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"Time-Resolved EPR and Theoretical Investigations of Metal-Free Room-Temperature Triplet Emitters"
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(88) Bountra, K; Hagelueken, G.; Choudhury; H.G.; Corradi, V.; ElOmari, K.; Wagner, A.; Mathavan, I.; Zirah, S.; Tieleman, D.P.; Schiemann, O.; Rebuffat, S.; Beis, K.*
"Structural basis for antibacterial peptide self-immunity by the bacterial ABC transporter McjD"
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(87) Heurich, T.; Qu, Z.-W.; Schnakenburg, G.; NejatyJahromy, Y.; Schiemann, O.; Grimme, S.; Streubel, R.*
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Organometallics 2017, 36, 2877-2883.

(86) Yin, D.M.; Hannam, J.S.; Schmitz, A.; Schiemann, O.; Hagelueken, G.*; Famulok, M.*
"Studying the conformation of a receptor tyrosine kinase in solution by inhibitor-based spin labeling"
Angew. Chem. Int. Ed. 2017, 129, 8537-8541.

(85) Jassoy, J.J.; Berndhäuser, A.; Duthie, F.; Kühn, S.P.; Hagelueken, G.; Schiemann, O.*
"Versatile Trityl Spin Labels for Nanometer Distance Measurements on Biomolecules in vitro and within cells"
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