Quantitative Atomistic Simulations of Reactive and Non-Reactive Processes
The interpretation of physico-chemical observables in terms of atomic motions is one of the primary objectives of atomistic simulations. Trajectories from a molecular simulation contain much valuable information about the relationship between motion of the atoms and physical observables re...
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| Format: | Article |
| Language: | deu |
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Swiss Chemical Society
2014-09-01
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| Series: | CHIMIA |
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| Online Access: | https://www.chimia.ch/chimia/article/view/5617 |