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Journal Article

Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra

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Neese,  Frank
Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Grimme, S., Bannwarth, C., Dohm, S., Hansen, A., Pisarek, J., Pracht, P., et al. (2017). Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra. Angewandte Chemie, International Edition in English, 56(46), 14763-14769. doi:10.1002/anie.201708266.


Cite as: https://hdl.handle.net/21.11116/0000-0007-160F-1
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