A short review of current computational concepts for high-pressure phase transition studies in molecular crystals

Research output: Contribution to journal › Review article › peer-review

Computational methods, DFT and Force Field methods, Energy calculations, High-pressure phase transitions, Intermolecular interactions, Molecular crystals, computational methods, ACID, AB-INITIO, high-pressure phase transitions, L-SERINE-III, intermolecular interactions, TOTAL-ENERGY CALCULATIONS, molecular crystals, energy calculations, MECHANICAL-PROPERTIES, POLYMORPHS, LATTICE ENERGIES, FRAMEWORKS, DIFFRACTION, ELECTRON-DENSITY

ID: 23542868

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