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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2018	L5b_S1_DMM_olefin_exo	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G; lanl2dz*	-3758.99426844; Eh
	8-Nov-2018	/water/complexes aq-nhcfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1731.1255381; Eh
	9-Nov-2018	/vacuum/complexes nh2rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-548.104749809; Eh
	30-Sep-2021	/Water/TS_water ch3i-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-946.415609832; Eh
	11-Apr-2021	/Diels_Alder ts-dma9-bq-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-311++G(D,P)	-999.889152451; Eh
	30-Aug-2018	small_basis_TS-B-5-6-Br_NiIMes2_BrPh_t_sp_scanCBr_s27_t_ts	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G*	-2262.72968229; Eh
	30-Aug-2018	small_basis_D-2-Cl_NiIPhen2_eta2_PhCl	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2237.90332088; Eh
	30-Aug-2018	small_basis_C-4-Cl_transNiClPhIXy2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2552.54870847; Eh
	30-Aug-2018	small_basis_A-5-Cl_NiITMe2ClPh_2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1628.18762256; Eh
	30-Aug-2018	small_basis_B-6-Cl_NiClIMes2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G*	-2478.18155136; Eh

Results 2861-2870 of 12842 (Search time: 0.005 seconds).