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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Apr-2017	/B3LYP TS-iso2_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1616.74586737; Eh
	18-Apr-2017	/M06-2X Int1_1mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-961.830064350; Eh
	18-Apr-2017	/M06-2X TS3_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-1155.21478182; Eh
	18-Apr-2017	/M06-2X TS_form_adduct	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G**	-1055.75535495; Eh
	18-Apr-2017	/M06-2X adduct	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1055.76477778; Eh
	18-Apr-2017	/B3LYP BnepOPh	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-600.416972998; Eh
	18-Apr-2017	/M06-2X 2Int_trans_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-1616.32130695; Eh
	18-Apr-2017	/B3LYP 2Int-cis_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1616.78808928; Eh
	18-Apr-2017	/B3LYP 1Int-trans_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1423.30696336; Eh
	18-Apr-2017	/B3LYP Int2_2_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1155.57808871; Eh

Results 8331-8340 of 103542 (Search time: 0.007 seconds).