| Calculation of electron ionization mass spectra with semiempirical GFNn-xTB methods J Koopman, S Grimme ACS omega 4 (12), 15120-15133, 2019 | 50 | 2019 |
| From QCEIMS to QCxMS: A tool to routinely calculate CID mass spectra using molecular dynamics J Koopman, S Grimme Journal of the American Society for Mass Spectrometry 32 (7), 1735-1751, 2021 | 42 | 2021 |
| Ab initio molecular dynamics calculations on electron ionization induced fragmentations of C 4 F 7 N and C 5 F 10 O for understanding their decompositions under discharge … B Zhang, M Hao, J Xiong, X Li, J Koopman Physical Chemistry Chemical Physics 25 (10), 7540-7549, 2023 | 28 | 2023 |
| Crystal Structure of 3R‐LiTiS2 and its Stability Compared to Other Polymorphs S Nakhal, M Lerch, J Koopman, MM Islam, T Bredow Zeitschrift für anorganische und allgemeine Chemie 639 (15), 2822-2825, 2013 | 19 | 2013 |
| Predicting the mass spectra of environmental pollutants using computational chemistry: A case study and critical evaluation SA Schreckenbach, JSM Anderson, J Koopman, S Grimme, MJ Simpson, ... Journal of the American Society for Mass Spectrometry 32 (6), 1508-1518, 2021 | 13 | 2021 |
| Quantum Chemistry‐based Molecular Dynamics Simulations as a Tool for the Assignment of ESI‐MS/MS Spectra of Drug Molecules R Schnegotzki, J Koopman, S Grimme, RD Süssmuth Chemistry–A European Journal 28 (27), e202200318, 2022 | 8 | 2022 |
| Calculation of mass spectra with the QCxMS method for negatively and multiply charged molecules J Koopman, S Grimme Journal of the American Society for Mass Spectrometry 33 (12), 2226-2242, 2022 | 6 | 2022 |
| QCEIMS 4.0 Installation Guide & Manual J Koopman, C Bauer, V Ásgeirsson, S Grimme | 1 | 2020 |
| Computation of Mass Spectra Using Quantum Chemical Methods JG Koopman Universitäts-und Landesbibliothek Bonn, 2022 | | 2022 |
