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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jun-2020	i362109	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-188.65527768; eV
	11-May-2021	MECP-osB_bis-3B_bis-triplet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-31+G(D) GENECP	-1283.15453257; Eh
	11-May-2021	TS-osC-E	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UM06	6-31+G(D) GENECP	-1275.55808318; Eh
	11-May-2021	osC_	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	6-31+G(D) GENECP	-1283.15630682; Eh
	11-May-2021	TS-B-E	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G(D) GENECP	-1275.52880389; Eh
	6-Aug-2020	/opt/intermediates/Rh/CH3I top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-272.62398838; eV
	6-Aug-2020	/opt/intermediates/Rh/F fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-254.68567170; eV
	6-Aug-2020	/opt/intermediates/Rh/F top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-254.60702157; eV
	19-Jan-2022	/benchmark-Hubbard 3O-doped-Ni(100)-3x3-CH2-U-1_0	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-403.92786285; eV
	30-Jun-2020	i372202	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-191.27876120; eV

Results 18941-18950 of 103529 (Search time: 0.487 seconds).