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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Jun-2024	/Layer/In₂O₃ In₂O₃-1l-18vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	28-Aug-2024	AFtskcn4attack_scan936_12	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.48120774; Eh
	28-Aug-2024	AFtskcn4attack_scan936_2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.49927983; Eh
	28-Aug-2024	AFtskcn4attack_scan936_1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-2770.49944507; Eh
	11-Sep-2024	TS(Ia-IIa)	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD 6-31G(D,P) GENECP	-4899.42715477; Eh
	11-Sep-2024	TS(Ia-Ia´)	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD 6-31G(D,P) GENECP	-4899.40990599; Eh
	11-Sep-2024	SI10	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D,P) GENECP	-4899.44113960; Eh
	18-Jun-2024	/Transition_states/Au/111 2213-1211+1001	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/amidines/zn/0001 zn-38Za-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-127.33437757; eV
	1-Jun-2024	/Layer/In₂O₃ In₂O₃-1l-4vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-

Results 78751-78760 of 104126 (Search time: 0.05 seconds).