Accurate prediction of nuclear magnetic resonance shielding constants: An extension of the focal-point analysis method for magnetic parameter calculations (FPA-M) with improved efficiency-Reference-Cited by-同舟云学术

Accurate prediction of nuclear magnetic resonance shielding constants: An extension of the focal-point analysis method for magnetic parameter calculations (FPA-M) with improved efficiency

Published:2018-11-14 Issue:18 Volume:149 Page:184101
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Wang Kangli¹,Sun Meng¹²,Cui Deng¹,Shen Tonghao³,Wu Anan¹,Xu Xin³

Affiliation:

1. Department of Chemistry, College of Chemistry and Chemical Engineering, Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen 361005, China

2. Adagene (Suzhou) Limited, Suzhou 215123, China

3. MOE Laboratory for Computational Physical Science, Department of Chemistry, Fudan University, Shanghai 200433, China

Funder

National Natural Science Foundation of China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5041979

Reference61 articles.

1. NMR with Proteins and Nucleic Acids

2. NOBEL LECTURE: NMR Studies of Structure and Function of Biological Macromolecules

3. The Assignment of Absolute Configuration by NMR

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