Galaxy QCxMS for straightforward semi-empirical quantum mechanical EI-MS prediction
High-performance computing (HPC) environments are crucial for computational research, including quantum chemistry (QC), but pose challenges for non-expert users. Researchers with limited computational knowledge struggle to utilise domain-specific software and access mass spectra prediction for in s...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
GigaScience Press
2025-07-01
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| Series: | GigaByte |
| Online Access: | https://gigabytejournal.com/articles/160 |
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