File:GlycoNMR simulation.jpg
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Summary[edit]
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English: Comparative prediction of the 13C NMR spectrum of sucrose using various methods. Experimental spectrum is in the middle. Upper spectrum (black) was obtained by empirical routine. Lower spectra (red and green) were obtained by quantum-chemical calculations in PRIRODA and GAUSSIAN respectively. Included information: used theory level/basis set/solvent model, accuracy of prediction (linear correlation factor and root mean square deviation), calculation time on personal computer (blue). |
| Date | |
| Source | Own work |
| Author | Philip Toukach |
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| Date/Time | Thumbnail | Dimensions | User | Comment | |
|---|---|---|---|---|---|
| current | 20:25, 28 June 2013 | | 1,200 × 1,023 (198 KB) | Фил Тоукач (talk | contribs) | User created page with UploadWizard |
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