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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	11-May-2021	MECP-3C-osC-singlet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-31+G(D) GENECP	-1275.55942465; Eh
	11-May-2021	TS-3B_-A_	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UM06	6-31+G(D) GENECP	-1283.15407101; Eh
	11-May-2021	TD_A_	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06; TD-FC	6-31+G(D) GENECP	-1132.9341928; Eh
	11-May-2021	MECP-B_-A_-singlet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-31+G(D) GENECP	-1283.15051634; Eh
	11-May-2021	D_	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G(D) GENECP	-1283.21646217; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-554.034907280; Eh

Results 3721-3730 of 12842 (Search time: 0.005 seconds).