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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/DCM/EG_LG_DCM ash2_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-2237.16999592; Eh
	30-Sep-2021	/DCM/EG_LG_DCM ooh_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-151.091060681; Eh
	30-Sep-2021	/DCM/EG_LG_DCM hse_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-2402.29010061; Eh
	26-Jun-2020	c00004	Chuong Nguyën, Huu	QuantumEspresso; 6.1; 13369	Geometry optimization	PBE	Ultrasoft	-129138.508269; eV
	26-Jun-2020	c00006	Chuong Nguyën, Huu	QuantumEspresso; 6.1; 13369	Geometry optimization	PBE	Ultrasoft	-129138.433581; eV
	30-Sep-2021	/Water/adducts_water/add_ch3cf3 ch3cf3-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-532.289917626; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cf3 ch3cf3-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-855.275121971; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cf3 ch3cf3-nch33_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-552.218517792; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cf3 ch3cf3-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1272.81680140; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cf3 ch3cf3_sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-776.641609058; Eh

Results 58821-58830 of 104126 (Search time: 0.035 seconds).