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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2024	TSB8biso-goldless-iso	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) GEN	-519.804396801; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_088 disp_088	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61061118; eV
	28-Aug-2024	AFtskcn4attack_scan1561_6	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.49206554; Eh
	11-Sep-2024	Ia	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D,P) GENECP	-4899.46157104; Eh
	29-Jul-2024	TSB3a	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) SDD GENECP	-1305.15142525; Eh
	28-Aug-2024	AFtsc120cn_2c_dissockcn4_scan6190_additional	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-5056.75664798; Eh
	28-Aug-2024	AFtsc120cn_2c_dissockcn4_scan6190_9	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-5056.76827639; Eh
	28-Aug-2024	AFtsc120cn_2c_dissockcn4_scan6190	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-5056.76646132; Eh
	13-Sep-2024	/Ni_111_C Ni-HCOOH	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-289.99711701; eV
	13-Sep-2024	/Ni_111_C Ni-O	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-267.27300475; eV

Results 2661-2670 of 100175 (Search time: 0.005 seconds).