@article{grimme_fully_2017,
	title = {Fully {Automated} {Quantum}-{Chemistry}-{Based} {Computation} of {Spin}–{Spin}-{Coupled} {Nuclear} {Magnetic} {Resonance} {Spectra}},
	volume = {56},
	issn = {1521-3773},
	url = {http://dx.doi.org/10.1002/anie.201708266},
	doi = {10.1002/anie.201708266},
	number = {46},
	journal = {Angewandte Chemie, International Edition},
	author = {Grimme, Stefan and Bannwarth, Christoph and Dohm, Sebastian and Hansen, Andreas and Pisarek, Jana and Pracht, Philipp and Seibert, Jakob and Neese, Frank},
	year = {2017},
	keywords = {NMR spectroscopy, conformational analysis, density functional calculations, quantum chemistry, tight-binding method},
	pages = {14763--14769},
}

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