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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-B-2x-3x-Cl_NiIMes_e2PhCl_1_scanCCl_s9ts	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G*	-1785.45272755; Eh
	30-Aug-2018	small_basis_B-2x-Cl_NiIMes_e2PhCl_1	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1785.46267268; Eh
	30-Aug-2018	small_basis_A-5-Br_NiITMe2BrPh_2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1181.17022003; Eh
	30-Aug-2018	small_basis_C-3-Cl_tetNiClPhIXy2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2552.50973796; Eh
	30-Aug-2018	small_basis_NiCODIPhen_NiCODIPhen	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(d)	-1169.74676374; Eh
	30-Aug-2018	small_basis_B-1_NiIMes2_r	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2017.88811766; Eh
	8-Nov-2018	/water/complexes aq-nhccunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-593.0676932; Eh
	30-Aug-2018	small_basis_TS-B-5-6-Cl_NiIMes2_ClPh_fromBr_t_ossts	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G*	-2709.73872063; Eh
	30-Aug-2018	small_basis_TS-D-5-6-Cl_NiIPhen2_oss_ClPh_t_ts	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G*	-2237.87328143; Eh
	30-Aug-2018	small_basis_D-5-Cl_NiIPhen2_ClPh	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2237.88504362; Eh

Results 2941-2950 of 12842 (Search time: 0.004 seconds).