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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-nh3cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-369.3243054; Eh
	9-Nov-2018	/vacuum/complexes nh2pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-870.789271402; Eh
	30-Aug-2018	large_basis_D-4-Cl_trans-NiClPhIPhen2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2238.44772474; Eh
	30-Aug-2018	large_basis_C-6-Cl_NiClIXy2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2321.37875378; Eh
	30-Aug-2018	small_basis_B-4-Cl_NiClPhIMes2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2709.83537734; Eh
	30-Aug-2018	large_basis_TS-A-5-6-Br_NiITMe2_ossts_PhBr_t_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-1181.41909459; Eh
	30-Aug-2018	large_basis_NiIMes2_distort_NiIMes2_eta2_PhCl_bb_NiL2frag	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2018.31962356; Eh
	30-Aug-2018	large_basis_D-6-Cl_NiClIPhen2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2006.71966450; Eh
	30-Aug-2018	small_basis_B-3x-Cl_NiClPhIMes_3	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1785.53293647; Eh
	30-Aug-2018	large_basis_ITMe_ITMe_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-383.575486154; Eh

Results 2981-2990 of 12842 (Search time: 0.004 seconds).