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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_IMes_IMes_gecp	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-924.227017658; Eh
	30-Aug-2018	small_basis_PhCl_PhCl_g	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-691.852584077; Eh
	30-Aug-2018	small_basis_B-3-Cl_cis-NiClPhIMes2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2709.79536616; Eh
	30-Aug-2018	small_basis_B-3-Br_cis-NiBrPhIMes2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2262.77718946; Eh
	30-Aug-2018	small_basis_TS-D-2-3-Cl_NiIPhen2_eta2_PhCl_scan_s18ets	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G*	-2237.90295085; Eh
	30-Aug-2018	small_basis_TS-C-2-3-Cl_NiIXy2_OA_PhCl	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G*	-2552.44396796; Eh
	30-Aug-2018	small_basis_D-4-Cl_trans-NiClPhIPhen2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2237.98419847; Eh
	30-Aug-2018	small_basis_C-2-Cl_NiIXy2_e2PhCl	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2552.44902447; Eh
	30-Aug-2018	small_basis_COD_COD_twistboat_gecp	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-312.045740768; Eh
	30-Aug-2018	small_basis_A-3-I_cis-NiIPhITMe2_sqp	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1179.48232297; Eh

Results 21-30 of 116 (Search time: 0.001 seconds).