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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Apr-2017	/M06-2X TS2_with_OPh_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-1855.37897623; Eh
	18-Apr-2017	/M06-2X TS2_with_OPh_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-2316.42199221; Eh
	18-Apr-2017	/B3LYP TS2_with_OPh_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-2317.12477985; Eh
	18-Apr-2017	/M06-2X 1Int_trans_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	LanL2DZ; 6-311G**	-1422.93270057; Eh
	18-Apr-2017	/B3LYP 1Int-cis_bis	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1423.29631146; Eh
	18-Apr-2017	/M06-2X TS-iso1_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-961.824803160; Eh
	18-Apr-2017	/B3LYP TS3_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1155.57792942; Eh
	18-Apr-2017	/B3LYP B2nep2	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-586.810853945; Eh
	18-Apr-2017	/B3LYP phosphine	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-461.167090441; Eh
	18-Apr-2017	/M06-2X TS2_adduct_mono	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-2017.62439738; Eh

Results 8311-8320 of 103542 (Search time: 0.007 seconds).