Predicting in silico electron ionization mass spectra using quantum chemistry

Shunyang Wang, Tobias Kind, Dean J. Tantillo, Oliver Fiehn. Predicting in silico electron ionization mass spectra using quantum chemistry. J. Cheminformatics, 12(1):63, 2020. [doi]

Authors

Shunyang Wang

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Tobias Kind

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Dean J. Tantillo

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Oliver Fiehn

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