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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/PaperStructures/Adducts Int_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-636.113822802; Eh
	24-Feb-2020	/PaperStructures/Adducts I_N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-697.073287438; Eh
	24-Feb-2020	/PaperStructures/Adducts I_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-559.639118313; Eh
	1-Dec-2017	/Racemization/From6RingTo5/Al_Cat/CO2_Insertion/TS_Insertion/Before Before	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2215.51032479; Eh
	12-Feb-2019	sa-IrCu-2215	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-435.15400327; eV
	24-Feb-2020	/PaperStructures/Adducts I_N_W_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-850.037095890; Eh
	24-Feb-2020	/PaperStructures/Adducts I_W_W_W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-712.599349142; Eh
	29-Feb-2016	Int3a-trans	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3793.33015593; Eh
	29-Feb-2016	FCa-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2464.24550675; Eh
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ag_CeO2 DMCd+TDAd_Ag111CeO2	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1579.18954841; eV

Results 4031-4040 of 104079 (Search time: 0.005 seconds).