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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Mar-2024	A2b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1213.64490739; Eh
	26-Mar-2024	A2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1213.62891760; Eh
	26-Mar-2024	A3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1213.68366070; Eh
	7-Mar-2024	pm4Ab2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-463.357479884; Eh
	7-Mar-2024	pm4Aa1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-463.355034285; Eh
	7-Mar-2024	pm3Ba1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-347.613743356; Eh
	26-Mar-2024	/redCO2 Ag(111)-(3x3)-BMIM(CH3)-CO2CH3-BMIM-CO2+H-C4	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-319.42199441; eV
	26-Mar-2024	/redCO2 Ag(111)-(3x3)-BMIM(CH3)-CO2CH3-BMIM+H+CO2-C4	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-317.61646197; eV
	26-Mar-2024	/redCO2 Ag(111)-(3x3)-BMIM(CH3)-CO2CH3-BMIM+H+CO2-C3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-317.89291236; eV
	26-Mar-2024	/redCO2 Ag(111)-(3x3)-BMIM(CH3)-CO2CH3-BMIM+H-C3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-295.18780938; eV

Results 52931-52940 of 104124 (Search time: 0.034 seconds).