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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Jan-2022	/benchmark-defects-OH 3OH-doped-Ni(100)-3x3-CH-C(CH3)2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-455.15344029; eV
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oTs ch3oTs-c6h5_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1166.61767904; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oTs ch3oTs-nch33_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1109.39725949; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oTs ch3Ts-c6h5_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1166.61781897; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oTs ch3oTs-cf3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1272.69496361; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oTs ch3oTs-nh2_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-990.895428997; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oTs ch3oTs-nhcho_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1104.32300529; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oTs ch3Ts-cl_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1395.26905281; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oTs ch3oTs-cn_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1027.85023512; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sch3 ch3sch3-c6h5_6311+Gd_ch2cl2_1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-709.820696104; Eh

Results 59331-59340 of 104126 (Search time: 0.036 seconds).