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Chemie GmbH path integral-based simulations
Path Integral Based Simulations, supplied by Chemie GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/path+integral-based+simulations/path+integral+based+simulations/pm39171731-21-43-50
Average 90 stars, based on 1 article reviews
path integral-based simulations - by Bioz Stars, 2026-11
90/100 stars

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Article Title: Theoretical infrared spectroscopy of protonated methane isotopologues.
Article Snippet: When it comes to computing IR spectra of protonated methane and its isotopologues while including full anharmonicity and possibly also temperature effects, an array of complementary methods has been deployed to tackle that challenge for such floppy molecules.12–14,18,20,22–36 Out of these, path integral-based simulations37,38 rigorously tackle large-amplitude Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany.



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