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Browsing by Author "Bauer, Christoph A."
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(Royal Society of Chemistry (RSC), 2017)We introduce a fully stand-alone version of the Quantum Chemistry Electron Ionization Mass Spectra (QCEIMS) program [S. Grimme, Angew. Chem. Int. Ed., 2013, 52, 6306] allowing efficient simulations for molecules composed of elements with atomic numbers ...
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