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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2024	m4Ae	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-462.919621767; Eh
	7-Mar-2024	m4Cb	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-462.934549996; Eh
	14-Jun-2024	/NEBs Cu100_0_00ML-CO_L-CO_B-2-fs	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	14-Jun-2024	/NEBs Cu100_0_00ML-CO_L-CO_B-ts	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-
	14-Jun-2024	/NEBs Cu100_0_00ML-CO_L-CO_L-1-is	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	26-Mar-2024	/redCO2 Ag(111)-(3x3)-EMIM-SO3CF3-EMIM-adsorption(+H)	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-248.70603411; eV
	26-Mar-2024	/redCO2 Ag(111)-(3x3)-BMIM-SO3CF3-BMIM+H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-282.46401844; eV
	26-Mar-2024	/redCO2 Ag(111)-(3x3)-BMIM-SO3CF3-BMIM+	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-285.10232880; eV
	6-Sep-2024	/BP86/Mo Mo09O38-14H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	18-Jun-2024	/Transition_states/Cu/111 2312-2302+0011	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex	Improved Dimer Method	DFT	-	-

Results 54361-54370 of 104126 (Search time: 0.032 seconds).