QM | Shunyang Wanghttps://shunyang.xyz/tag/qm/QMWowchemy (https://wowchemy.com)en-usFri, 18 Nov 2022 00:00:00 +0000https://shunyang.xyz/media/icon_hua2ec155b4296a9c9791d015323e16eb5_11927_512x512_fill_lanczos_center_3.pngQMhttps://shunyang.xyz/tag/qm/Dissertation: Theoretical and experimental explorations on compound identification in metabolomicshttps://shunyang.xyz/project/cartoon/Fri, 18 Nov 2022 00:00:00 +0000https://shunyang.xyz/project/cartoon/Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamicshttps://shunyang.xyz/project/exmd/Thu, 15 Sep 2022 00:00:00 +0000https://shunyang.xyz/project/exmd/Quantum Chemical Prediction of Electron Ionization Mass Spectra of Trimethylsilylated Metaboliteshttps://shunyang.xyz/project/tms/Mon, 10 Jan 2022 00:00:00 +0000https://shunyang.xyz/project/tms/Quantum Chemistry Calculations for Metabolomicshttps://shunyang.xyz/project/review/Wed, 12 May 2021 00:00:00 +0000https://shunyang.xyz/project/review/Predicting in silico electron ionization mass spectra using quantum chemistryhttps://shunyang.xyz/project/qceims/Thu, 30 Jul 2020 00:00:00 +0000https://shunyang.xyz/project/qceims/