Crystal Structure Optimization and Gibbs Free Energy Comparison of Five Sulfathiazole Polymorphs by the Embedded Fragment QM Method at the DFT Level
- DOI
- 10.3390/cryst9050256
- Published
- 2019-05-17
- Container
- Crystals
- Publisher
- MDPI AG
- Open access
- unknown
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BibTeX
@article{allodium:10.3390/cryst9050256,
title = {Crystal Structure Optimization and Gibbs Free Energy Comparison of Five Sulfathiazole Polymorphs by the Embedded Fragment QM Method at the DFT Level},
author = {Xuan Hao and Jinfeng Liu and Hongyuan Luo and Yanqiang Han and Wenxin Hu and Jinyun Liu and Jinjin Li and Xiao He},
year = {2019},
journal = {Crystals},
doi = {10.3390/cryst9050256},
url = {https://doi.org/10.3390/cryst9050256}
}RIS
TY - JOUR TI - Crystal Structure Optimization and Gibbs Free Energy Comparison of Five Sulfathiazole Polymorphs by the Embedded Fragment QM Method at the DFT Level AU - Xuan Hao AU - Jinfeng Liu AU - Hongyuan Luo AU - Yanqiang Han AU - Wenxin Hu AU - Jinyun Liu AU - Jinjin Li AU - Xiao He PY - 2019 JO - Crystals DO - 10.3390/cryst9050256 UR - https://doi.org/10.3390/cryst9050256 ER -
APA
Hao, X., Liu, J., Luo, H., Han, Y., Hu, W., Liu, J., Li, J., & He, X. (2019). Crystal Structure Optimization and Gibbs Free Energy Comparison of Five Sulfathiazole Polymorphs by the Embedded Fragment QM Method at the DFT Level. Crystals. https://doi.org/10.3390/cryst9050256
Source records
- crossref · retrieved 2026-09-25T00:29:55.772Z