How reliable are GIAO calculations of 1H and 13C NMR chemical shifts? A statistical analysis and empirical corrections at DFT (PBE/3z) level.
- DOI
- 10.1002/jcc.21786
- Published
- 2011 Jul 15
- Container
- Journal of computational chemistry
- Publisher
- Not recorded
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1002/jcc.21786,
title = {How reliable are GIAO calculations of 1H and 13C NMR chemical shifts? A statistical analysis and empirical corrections at DFT (PBE/3z) level.},
author = {Pankratyev EY and Tulyabaev AR and Khalilov LM},
year = {2011},
journal = {Journal of computational chemistry},
doi = {10.1002/jcc.21786},
url = {https://doi.org/10.1002/jcc.21786}
}RIS
TY - JOUR TI - How reliable are GIAO calculations of 1H and 13C NMR chemical shifts? A statistical analysis and empirical corrections at DFT (PBE/3z) level. AU - Pankratyev EY AU - Tulyabaev AR AU - Khalilov LM PY - 2011 JO - Journal of computational chemistry DO - 10.1002/jcc.21786 UR - https://doi.org/10.1002/jcc.21786 ER -
APA
EY, P., AR, T., & LM, K. (2011). How reliable are GIAO calculations of 1H and 13C NMR chemical shifts? A statistical analysis and empirical corrections at DFT (PBE/3z) level.. Journal of computational chemistry. https://doi.org/10.1002/jcc.21786
Source records
- pubmed · retrieved 2026-09-24T18:31:53.907Z