Semi-empirical andab initiocalculations for crystals under pressure at fixed temperatures: the case of guanidinium perchlorate
| Autor: | Dmitry V. Korabel'nikov, Yuriy N. Zhuravlev |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Materials science
General Chemical Engineering 02 engineering and technology General Chemistry 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Perchlorate chemistry.chemical_compound chemistry Ab initio quantum chemistry methods Physical chemistry 0210 nano-technology |
| Zdroj: | RSC Advances. 10:42204-42211 |
| ISSN: | 2046-2069 |
| DOI: | 10.1039/d0ra08588j |
| Popis: | A simple semi-empirical approach is proposed to calculate structure and properties of crystals under pressure at fixed temperatures. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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