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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-nh3conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-484.9313509; Eh
	9-Nov-2018	/vacuum/complexes nh2oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-371.997041406; Eh
	30-Aug-2018	large_basis_TS-B-2x-3x-Cl_NiIMes_PhCl_OATS_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1785.79704549; Eh
	30-Aug-2018	large_basis_B-2x-Cl_NiIMes_e2PhCl_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1785.80647987; Eh
	30-Aug-2018	large_basis_C-3-Cl_tetNiClPhIXy2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2553.05536121; Eh
	30-Aug-2018	large_basis_A-5-Br_NiITMe2_BrPh_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1181.44663653; Eh
	30-Aug-2018	large_basis_NiCODIPhen_NiCODIPhen_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1170.02023238; Eh
	30-Aug-2018	large_basis_A-1_NiITMe2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-936.542798241; Eh
	30-Aug-2018	large_basis_B-1_NiIMes2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2018.38016785; Eh
	30-Aug-2018	large_basis_TS-D-5-6-Cl_NiIPhen2_ossts_PhCl_t_oss_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2238.33779493; Eh

Results 3041-3050 of 12842 (Search time: 0.005 seconds).