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Quantum Chemistry-Based Prediction of Electron Ionization Mass Spectra for Environmental Chemicals.

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Title: Quantum Chemistry-Based Prediction of Electron Ionization Mass Spectra for Environmental Chemicals.
Authors: Hecht H; RECETOX, Faculty of Science, Masaryk University, Kotlářská 2, Brno 602 00, Czech Republic., Rojas WY; RECETOX, Faculty of Science, Masaryk University, Kotlářská 2, Brno 602 00, Czech Republic., Ahmad Z; RECETOX, Faculty of Science, Masaryk University, Kotlářská 2, Brno 602 00, Czech Republic., Křenek A; Institute of Computer Science, Masaryk University, Botanická 554/68a, Brno 602 00, Czech Republic., Klánová J; RECETOX, Faculty of Science, Masaryk University, Kotlářská 2, Brno 602 00, Czech Republic., Price EJ; RECETOX, Faculty of Science, Masaryk University, Kotlářská 2, Brno 602 00, Czech Republic.
Source: Analytical chemistry [Anal Chem] 2024 Aug 20; Vol. 96 (33), pp. 13652-13662. Date of Electronic Publication: 2024 Aug 07.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0370536 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-6882 (Electronic) Linking ISSN: 00032700 NLM ISO Abbreviation: Anal Chem Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: Quantum Chemistry-Based Prediction of Electron Ionization Mass Spectra for Environmental Chemicals.
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  Data: <searchLink fieldCode="AU" term="%22Hecht+H%22">Hecht H</searchLink>; RECETOX, Faculty of Science, Masaryk University, Kotlářská 2, Brno 602 00, Czech Republic.<br /><searchLink fieldCode="AU" term="%22Rojas+WY%22">Rojas WY</searchLink>; RECETOX, Faculty of Science, Masaryk University, Kotlářská 2, Brno 602 00, Czech Republic.<br /><searchLink fieldCode="AU" term="%22Ahmad+Z%22">Ahmad Z</searchLink>; RECETOX, Faculty of Science, Masaryk University, Kotlářská 2, Brno 602 00, Czech Republic.<br /><searchLink fieldCode="AU" term="%22Křenek+A%22">Křenek A</searchLink>; Institute of Computer Science, Masaryk University, Botanická 554/68a, Brno 602 00, Czech Republic.<br /><searchLink fieldCode="AU" term="%22Klánová+J%22">Klánová J</searchLink>; RECETOX, Faculty of Science, Masaryk University, Kotlářská 2, Brno 602 00, Czech Republic.<br /><searchLink fieldCode="AU" term="%22Price+EJ%22">Price EJ</searchLink>; RECETOX, Faculty of Science, Masaryk University, Kotlářská 2, Brno 602 00, Czech Republic.
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  Data: <searchLink fieldCode="JN" term="%220370536%22">Analytical chemistry</searchLink> [Anal Chem] 2024 Aug 20; Vol. 96 (33), pp. 13652-13662. <i>Date of Electronic Publication: </i>2024 Aug 07.
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        Value: 10.1021/acs.analchem.4c02589
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              Text: 2024 Aug 20
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