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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Feb-2023	/M_P_din6_as_c3_253/Rh_P_din6_as_c3_253 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-616.76316165; eV
	13-Oct-2025	/Co/100/adsorption/CH opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-493.14711523; eV
	26-Aug-2024	geom129_w11_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-840.7848848; Eh
	25-Jun-2024	/Intermediates/Pt/110 C4H10O_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-494.76834478; eV
	6-Sep-2024	/BP86/V V03O09-1H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	7-Mar-2024	SP_TSbA6	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD LANL2DZ GENECP	-1344.9052909; Eh
	7-Mar-2024	SP_TSB6cisoid	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1563.4535417; Eh
	7-Mar-2024	SP_TSB7-8	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1563.4614025; Eh
	14-Jun-2024	/Au25_clusters/Au25-charged_react Au23Ag2ks_SR-SH_CO2_charged	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Single point	DFT	-	-527.18191324; eV
	14-Jun-2024	/Au25_clusters/Au25-charged_react Au23Ag2ks_SH-SH_COOH_charged	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-

Results 44971-44980 of 103542 (Search time: 0.027 seconds).