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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Apr-2017	Fr-PB_HSE03_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-625.43201908; eV
	12-Apr-2017	Cs-PB_HSE03_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-630.61311434; eV
	12-Apr-2017	BG_HSE03_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Single point	-	-	-605.91411958; eV
	16-Jul-2018	/Ru-PMe-OAc-Cl TS-I7m-5m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	sdd; 6-31+g*	-1976.14368165; Eh
	12-Apr-2017	K-PB_PBEsol+U_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-440.93208081; eV
	12-Apr-2017	Rb-PB_HSE03_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-628.34199936; eV
	25-Nov-2016	/Gamma_butirolactone/Optimisations Reactants	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	-	-1032.59863478; Eh
	12-Apr-2017	Cs-PB_HSE03_optimisation	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-630.57816336; eV
	12-Apr-2017	K-PB_PBEsol+U_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-440.76185088; eV
	12-Apr-2017	K-PB_HSE03_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-627.46119826; eV

Results 8821-8830 of 103542 (Search time: 0.007 seconds).