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

Grimme, Stephan; Bannwarth, Christoph; Dohm, Sebastian; Hansen , Andreas; Pisarek, Jana; Pracht, Philipp; Seibert, Jakob; Neese, Frank

doi:10.1002/anie.201708266

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

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.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0007-160F-1 Version Permalink: https://hdl.handle.net/21.11116/0000-0007-1610-E

Genre: Journal Article

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Creators:
Grimme, Stephan, Author
Bannwarth, Christoph, Author
Dohm, Sebastian, Author
Hansen , Andreas, Author
Pisarek, Jana, Author
Pracht, Philipp, Author
Seibert, Jakob, Author
Neese, Frank¹, Author

Affiliations:
1Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society, ou_3023886

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Language(s): eng - English

Dates: Date issued: 2017

Publication Status: Issued

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Rev. Type: Peer

Identifiers: eDoc: 735212
ISI: 000414764600079
DOI: 10.1002/anie.201708266

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Title: Angewandte Chemie, International Edition in English

Abbreviation : Angew. Chem., Int. Ed. Engl.

Source Genre: Journal

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Publ. Info: Weinheim : Wiley-VCH

Pages: - Volume / Issue: 56 (46) Sequence Number: - Start / End Page: 14763 - 14769 Identifier: ISSN: 0570-0833
CoNE: https://pure.mpg.de/cone/journals/resource/0570-0833