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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Nov-2016	/Gamma_butirolactone/Optimisations TS_2	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevC.01	Geometry optimization TS	RM06	-	-1032.59178744; Eh
	25-Nov-2016	/Gamma_butirolactone/Optimisations TS1	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	-	-1032.55983480; Eh
	25-Nov-2016	/Gamma_butirolactone/Optimisations TS_1_after	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	-	-1032.58223622; Eh
	25-Nov-2016	/7_membered_lactone/Solvated_Single_points Int_2	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	-	-1111.18566061; Eh
	25-Nov-2016	/7_membered_lactone/Solvated_Single_points Product	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevC.01	Single point Structure	RM06	-	-1111.21456735; Eh
	25-Nov-2016	/7_membered_lactone/Solvated_Single_points TS_1	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	-	-1111.16962197; Eh
	25-Nov-2016	/7_membered_lactone/Optimisations Int_2	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevC.01	Geometry optimization Minimum	RM06	-	-1111.15536132; Eh
	25-Nov-2016	/7_membered_lactone/Optimisations TS_2	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	-	-1111.17772850; Eh
	25-Nov-2016	/7_membered_lactone/Optimisations Reactants	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	-	-1111.18109227; Eh
	25-Nov-2016	/7_membered_lactone/Optimisations LT_proton_shift	Bandeira, Nuno	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	-	-1109.99046817; Eh

Results 21-30 of 30 (Search time: 0.001 seconds).