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Exploring the impacts of conformer selection methods on ion mobility collision cross section predictions
The prediction of structure dependent molecular properties, such as collision cross sections as measured using ion mobility spectrometry, are crucially dependent on the selection of the correct population of molecular conformers. Here, we report an in-depth evaluation of multiple conformation select...
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| Опубликовано в: : | Anal Chem |
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| Главные авторы: | , , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2021
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8139173/ https://ncbi.nlm.nih.gov/pubmed/33606495 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.analchem.0c04341 |
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