Application of Quantum Chemical Calculation of Nuclear Magnetic Resonance Parameters in the Structure Elucidation of Natural Products

Autor: HU Kun, SUN Han-dong, PUNO Pema-tenzin
Jazyk: čínština
Rok vydání: 2019
Předmět:
Zdroj: Chinese Journal of Magnetic Resonance, Vol 36, Iss 3, Pp 359-376 (2019)
Druh dokumentu: article
ISSN: 1000-4556
DOI: 10.11938/cjmr20182682
Popis: With the continuous development of quantum chemical theories and advances in computer hardware and software, the methods for quantum chemical calculation of nuclear magnetic resonance parameters (qcc-NMR) are improved significantly in the past decade. With these methods, accurate calculated results can often be obtained at a relatively low cost. Furthermore, the methods for result analysis have been advanced from simple statistical parameters to more sophisticated procedures based on more complicated statistical methods or artificial neuron networks, etc. These advances make qcc-NMR a significant complement to traditional spectrometric methods, and more and more useful in natural product research. In this paper, the application of qcc-NMR in natural product research is reviewed. Representative researches featuring the use of qcc-NMR are highlighted.
Databáze: Directory of Open Access Journals