Author

Christopher J. Gray

Primary ORCID profile (0000-0002-7519-698X · 1 paper)Unclaimed ORCID profile · follow to get notified of new preprints

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Christopher J. GrayiD1 paper · Children's Hospital of Philadelphia

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Biochemistry· 1

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Approach:statistical model· 1

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Lukasz G. MigasiD· 1 shared Perdita E. BarraniD· 1 shared Sabine L. FlitschiD· 1 shared

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2017-2017 · peak 1/yr

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1 shared paperBiochemistry

Lukasz G. MigasORCID

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1 paper

Recent·Most cited

BiochemistrybioRxivPreprintJul 12, 2017

A Careful Consideration of the Influence of Structure, Partial charges and Basis Sets on Collision Cross Sections of Monosaccharides when Comparing Values from DFT Calculated Conformers to those Obtained Experimentally

Lukasz G. Migas, Christopher J. Gray, Sabine L. Flitsch, Perdita E. Barran

This study evaluates how molecular conformation, partial charges, and basis sets affect collision cross sections of monosaccharides calculated from DFT conformers compared to experimental values.

DOI 10.1101/162305

statistical model