OpenMechanochem: A Python module for mechanochemical simulations
The interest in mechanochemical research has dramatically increased in recent years with the advent of computational chemistry tools where detailed reaction thermodynamics, and kinetics can be studied. However, most chemistry software packages do not address mechanochemical phenomena and computation...
| Glavni autori: | , |
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| Format: | Članak |
| Jezik: | English |
| Izdano: |
Elsevier
2021-12-01
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| Serija: | SoftwareX |
| Teme: | |
| Online pristup: | http://www.sciencedirect.com/science/article/pii/S2352711021001436 |