CrystalClear: An open, modular protocol for predicting molecular crystal growth from solution
| Autor: | Peter R. Spackman, Alvin Jenner Walisinghe, Michael Anderson, Julian Gale |
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| Rok vydání: | 2023 |
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| Zdroj: | Chemical Science. |
| ISSN: | 2041-6539 2041-6520 |
| Popis: | We present a new protocol for the prediction of free energies that determine the growth of sites in molecular crystals for subsequent use in Monte Carlo simulations using tools such... |
| Databáze: | OpenAIRE |
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