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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Aug-2018	small_basis_TS-A-5-6-Br_NiITMe2_ha_BrPh_fIMes_fix_t_ossts	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G*	-1181.16693544; Eh
	30-Aug-2018	small_basis_A-2-Br_NiITMe2_eta2_PhBr_fCl_nosolv_solv_fixCBr	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1181.19618111; Eh
	30-Aug-2018	small_basis_TS-C-5-6-Cl_NiIXy2_ClPh_spt_ossts	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G*	-2552.45397196; Eh
	30-Aug-2018	small_basis_B-6-Br_NiBrIMes2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G*	-2031.16374362; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-393.981617171; Eh
	30-Aug-2018	small_basis_B-2-I_NiIMes2_eta2PhI_fBr_nosolv_fixCI_solv	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2260.92973630; Eh
	30-Aug-2018	small_basis_C-5-Cl_NiIXy2_ClPh	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2552.46600091; Eh
	30-Aug-2018	small_basis_NiCOD2_NiCOD2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-793.490504758; Eh
	30-Aug-2018	small_basis_B-3-I_NiIMes2_PhIeta2_fromBr	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2260.99503146; Eh
	30-Aug-2018	small_basis_A-3-Br_cis-NiBrPhITMe2_sqp	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1181.26427431; Eh

Results 2881-2890 of 12842 (Search time: 0.004 seconds).