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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_HSE03-25	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-616.24580722; eV
	12-Apr-2017	lsls_KCoFe(CN)6_HSE03-15	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-561.18223347; 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	H2O_solvated_PBEsol	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-13.90801607; eV
	26-Oct-2017	/THF 7-Cl-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-1552.04429788; Eh
	29-Feb-2016	Cl	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-15.0283281733; Eh
	17-Oct-2017	/Adsorption/ni/3x3/h2o h2o	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-202.75800862; eV
	17-Oct-2017	/Adsorption/ni/7x4 C	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-697.54405760; eV
	17-Oct-2017	/Adsorption/ni/3x3/o b	Li, Qiang	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-200.29353309; eV
	26-Oct-2017	/THF NiPMe3-2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1091.70993065; Eh

Results 18371-18380 of 104512 (Search time: 0.011 seconds).