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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Apr-2017	/B3LYP TS1_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-962.035012493; Eh
	18-Apr-2017	/B3LYP-D3 TS_form_add	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	-	-1056.15983896; Eh
	18-Apr-2017	/B3LYP-D3 TS2_without_OPh_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-2010.18449618; Eh
	18-Apr-2017	/B3LYP-D3 TS-iso2_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1616.80718155; Eh
	18-Apr-2017	/B3LYP-D3 TS3_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1155.61414531; Eh
	18-Apr-2017	/B3LYP TS-iso1_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-962.099590965; Eh
	21-Jun-2019	/B2O4(C2H4)2 TSiso	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1269.50469352; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS41	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1269.54048309; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS42	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1269.52584924; Eh
	21-Jun-2019	/B2O4(C2H4)2 TS3C-OCs	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1289.40171757; Eh

Results 31-40 of 75 (Search time: 0.003 seconds).