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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Apr-2017	Rb-PB_HSE03_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-628.38412989; eV
	12-Apr-2017	BG_PBEsol+U_dos	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-421.29167683; eV
	25-Nov-2016	/Gamma_butirolactone/Optimisations Linear_Transit_	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevC.01	Geometry optimization Minimum	RM06	-	-1070.75365588; Eh
	25-Nov-2016	/Gamma_butirolactone/Solvated_Single_points Product	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	-	-1032.62626599; Eh
	25-Nov-2016	/Gamma_butirolactone/Solvated_Single_points Int_1	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	-	-1032.60542923; Eh
	25-Nov-2016	/7_membered_lactone/Solvated_Single_points TS_2	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	-	-1111.20468322; Eh
	25-Nov-2016	/7_membered_lactone/Optimisations Product	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	-	-1111.19007602; Eh
	25-Nov-2016	/Gamma_butirolactone/Optimisations Int_3	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	-	-1032.58751681; Eh
	25-Nov-2016	/7_membered_lactone/Optimisations Int_3	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	-	-1111.18077005; Eh
	25-Nov-2016	/Gamma_butirolactone/Optimisations TS1	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	-	-1032.55983480; Eh

Results 8831-8840 of 103542 (Search time: 0.008 seconds).