Concepedia

MS/MS-based molecular networking accelerated discovery of germacrane-type sesquiterpene lactones from Elephantopus scaber L

Wei Xu, Ming Bai, Defeng Liu, Shu-Yan Qin, Tian‐Ming Lv, Qian Li, Bin Lin, Shao‐Jiang Song, Xiao‐Xiao Huang

Phytochemistry · 2022 · 38 citations · 25 references

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25

Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations

Krzysztof Woliński, James F. Hinton, Péter Pulay · Journal of the American Chemical Society · 1990 · 6.8K citations

, , +5

Corner flapping: a simple and fast algorithm for exhaustive generation of ring conformations

Eiji O̅sawa · Journal of the American Chemical Society · 1989 · 474 citations

, , +4

A guide to small-molecule structure assignment through computation of (1H and 13C) NMR chemical shifts

Patrick H. Willoughby, Matthew J. Jansma, Thomas R. Hoye · Nature Protocols · 2014 · 412 citations · Full text

, , +4

An introduction to experimental phasing of macromolecules illustrated by<i>SHELX</i>; new autotracing features

Isabel Usón, George M. Sheldrick · Acta Crystallographica Section D Structural Biology · 2018 · 206 citations · Full text

, , +17

Comprehensive structural characterization of phenolics in litchi pulp using tandem mass spectral molecular networking

Qiang Lyu, Ting-Hao Kuo, Chongde Sun et al. · Food Chemistry · 2019 · 64 citations

, , +13