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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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	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_solvated_HSE03-13	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-16.68922401; 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
	12-Apr-2017	hsls-KCoFe(CN)6_PBEsol	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-466.07498155; eV
	8-May-2017	Ru-3-42	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-350.48966932; eV
	26-Oct-2017	/THF 5-I-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-1796.05732288; Eh
	26-Oct-2017	/THF 9-I-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1334.91058742; Eh
	29-Feb-2016	LO-cis-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-465.710399056; Eh

Results 18701-18710 of 104512 (Search time: 0.012 seconds).