A Short Review of Current Computational Concepts for High-Pressure Phase Transition Studies in Molecular Crystals
High-pressure chemistry of organic compounds is a hot topic of modern chemistry. In this work, basic computational concepts for high-pressure phase transition studies in molecular crystals are described, showing their advantages and disadvantages. The interconnection of experimental and computationa...
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-01-01
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| Series: | Crystals |
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| Online Access: | https://www.mdpi.com/2073-4352/10/2/81 |