An on-Line NMR Chemical Shift Prediction Platform Based on Density Functional Theory
With continuing breakthroughs in computational chemistry theory and substantial improvement of computation hardware performance, great progresses have been made in recent years in first principle-based prediction of 1H and 13C chemical shifts of organic molecules. Some methods have even been gradual...
| Main Authors: | , , |
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| Format: | Article |
| Language: | zho |
| Published: |
Science Press
2021-03-01
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| Series: | Chinese Journal of Magnetic Resonance |
| Subjects: | |
| Online Access: | http://121.43.60.238/bpxzz/EN/10.11938/cjmr20202831 |