Automated fragmentation quantum mechanical calculation of 13C and 1H chemical shifts in molecular crystals-Reference-Cited by-同舟云学术

Automated fragmentation quantum mechanical calculation of 13C and 1H chemical shifts in molecular crystals

Published:2021-02-14 Issue:6 Volume:154 Page:064502
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Shi Man¹,Jin Xinsheng¹^ORCID,Wan Zheng¹,He Xiao¹²^ORCID

Affiliation:

1. Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China

2. NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China

Funder

National Key R&D Program of China

National Natural Science Foundation of China

Shanghai Municipal Natural Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0039115

Reference76 articles.

1. Powder crystallography of pharmaceutical materials by combined crystal structure prediction and solid-state 1H NMR spectroscopy

2. Macromolecular NMR spectroscopy for the non-spectroscopist

3. Ultra-Wideline Solid-State NMR Spectroscopy

4. Solid-state NMR: A powerful tool for characterization of metal–organic frameworks

5. New Methods and Applications in Solid-State NMR Spectroscopy of Quadrupolar Nuclei

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