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Research Article

Comparison of GIAO and CSGT for calculating 13C and 15N nuclear magnetic resonance chemical shifts of substituent neutral 5-aminotetrazole and 5-nitrotetrazole compounds

  1. Yubo Li,
  2. Haixiang Gao,
  3. Jiaheng Zhang,
  4. Songqing Li,
  5. Wenfeng Zhou*

Article first published online: 23 JAN 2012

DOI: 10.1002/mrc.2840

Issue

Magnetic Resonance in Chemistry

Magnetic Resonance in Chemistry

Volume 50, Issue 1, pages 16–21, January 2012

Additional Information

How to Cite

Li, Y., Gao, H., Zhang, J., Li, S. and Zhou, W. (2012), Comparison of GIAO and CSGT for calculating 13C and 15N nuclear magnetic resonance chemical shifts of substituent neutral 5-aminotetrazole and 5-nitrotetrazole compounds. Magn. Reson. Chem., 50: 16–21. doi: 10.1002/mrc.2840

Author Information

  1. Group of Pesticide Residue and Environmental Toxicology, Department of Applied Chemistry, College of Science, China Agricultural University, Beijing, China

*Wenfeng Zhou, Group of Pesticide Residue and Environmental Toxicology, Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China. E-mail: zhouwenfeng@cau.edu.cn

Publication History

  1. Issue published online: 6 MAR 2012
  2. Article first published online: 23 JAN 2012
  3. Manuscript Revised: 20 SEP 2011
  4. Manuscript Accepted: 20 SEP 2011
  5. Manuscript Received: 21 JUL 2011

Funded by

  • Ministry of Science and Technology, China. Grant Number: 2009CB118801
  • Chinese Universities Scientific Fund. Grant Number: 2011JS035

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