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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Apr-2017	hsls_KCoFe(CN)6_HSE03-20	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 20 2015 09:11:32) gamma-only	Geometry optimization	-	-	-586.63502137; eV
	12-Apr-2017	hsls_KCoFe(CN)6_HSE03-0	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 20 2015 09:11:32) gamma-only	Geometry optimization	-	-	-477.03014338; eV
	12-Apr-2017	hsls_KCoFe(CN)6_PBEsol+U	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-435.59631316; eV
	12-Apr-2017	lsls_KCoFe(CN)6_HSE03-0	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-480.55410607; eV
	12-Apr-2017	H2O_non-solvated_PBEsol	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-13.60449144; eV
	12-Apr-2017	H2O_solvated_PBEsol	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-13.90801607; eV
	12-Apr-2017	lsls_KCoFe(CN)6_HSE03-10	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-534.04222702; eV
	12-Apr-2017	lsls_KCoFe(CN)6_PBEsol+U	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-442.87537373; eV
	12-Apr-2017	hsls_KCoFe(CN)6_HSE03	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-615.13679683; eV
	12-Apr-2017	CoFe-PB+H2O_HSE03-13	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Single point	-	-	-566.49771681; eV

Results 1941-1950 of 104079 (Search time: 0.004 seconds).