%0 Generic %A Rosas-Garcia, Victor M. %A Sáenz, Isabel %D 2019 %T CaF2(H2O)7 minima obtained at HF and MP2 levels %U https://figshare.com/articles/dataset/CaF2_H2O_7_minima_obtained_at_HF_and_MP2_levels/7073234 %R 10.6084/m9.figshare.7073234.v1 %2 https://ndownloader.figshare.com/files/13005530 %2 https://ndownloader.figshare.com/files/13005542 %2 https://ndownloader.figshare.com/files/13005545 %2 https://ndownloader.figshare.com/files/13005548 %2 https://ndownloader.figshare.com/files/13005551 %2 https://ndownloader.figshare.com/files/13005554 %2 https://ndownloader.figshare.com/files/13005557 %2 https://ndownloader.figshare.com/files/13005560 %2 https://ndownloader.figshare.com/files/13005563 %2 https://ndownloader.figshare.com/files/13005566 %2 https://ndownloader.figshare.com/files/13005569 %2 https://ndownloader.figshare.com/files/13005572 %2 https://ndownloader.figshare.com/files/13005575 %2 https://ndownloader.figshare.com/files/13005578 %2 https://ndownloader.figshare.com/files/13005581 %2 https://ndownloader.figshare.com/files/13005584 %2 https://ndownloader.figshare.com/files/13005587 %2 https://ndownloader.figshare.com/files/13005590 %2 https://ndownloader.figshare.com/files/13005593 %2 https://ndownloader.figshare.com/files/13101119 %2 https://ndownloader.figshare.com/files/13101122 %2 https://ndownloader.figshare.com/files/13101125 %2 https://ndownloader.figshare.com/files/13101128 %2 https://ndownloader.figshare.com/files/13101131 %K calcium fluoride %K hydration %K ab initio %K Computational Chemistry %K Inorganic Chemistry %X CaF2(H2O)7 minima obtained at the HF/6-31* and MP2/6-311++G** levels of theory. Electronic energy and ZPE included in each file. %I figshare