CaF2(H2O)6 minima obtained at HF and MP2 levels

2019-02-13T19:55:04Z (GMT) by Victor M. Rosas-Garcia Isabel Sáenz
CaF2(H2O)6 minima obtained at the HF/6-31* and MP2/6-311++G** levels of theory. Electronic energy and ZPE included in each file.