Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics - researchr publication authors

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Shunyang Wang, Tobias Kind, Parker Ladd Bremer, Dean J. Tantillo, Oliver Fiehn. Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics. Journal of Chemical Information and Computer Sciences, 62(18):4403-4410, 2022. [doi]

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