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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jan-2019	/L2 1b	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G*	-1258.32095524; Eh
	17-Jan-2019	/L3 1e	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G*	-1445.96030917; Eh
	17-Jan-2019	/L3 1c	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G*	-1369.97761975; Eh
	12-Apr-2017	lsls_KCoFe(CN)6_HSE03-13_dense-Kpoint-mesh	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Single point	-	-	-551.55810479; eV
	12-Apr-2017	H2O_non-solvated_HSE03-13	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-16.38364048; eV
	12-Apr-2017	lsls_KCoFe(CN)6_HSE03-20	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-588.59098403; eV
	12-Apr-2017	hsls_KCoFe(CN)6_HSE03-10	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 20 2015 09:11:32) gamma-only	Geometry optimization	-	-	-530.66659322; eV
	12-Apr-2017	BiVO4_HSE03-13_dense-Kpoint-mesh	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Single point	-	-	-212.39589586; eV
	12-Apr-2017	lsls-KCoFe(CN)6_PBEsol	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-473.71477163; eV
	12-Apr-2017	BiVO4_HSE03-13_gamma-point	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Single point	-	-	-212.39589586; eV

Results 31-40 of 150 (Search time: 0.001 seconds).