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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/adducts_DCM/add_ch3oTs ch3Ts-och3_6311+Gd_ch2cl2-1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1050.11198880; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oTs ch3Ts-Ts_6311+Gd-1_ch2cl2-1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1829.98534776; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oTs ch3Ts-sh_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1333.81549039; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oTs ch3Ts-f_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1034.88515815; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nhcho ch3nhcho-f_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-309.297476580; Eh
	19-Jan-2022	/benchmark-defects-OH 2OH-doped-Ni(100)-3x3-CHCH(CH3)2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-451.10642351; eV
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn-oh_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-208.740998976; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn-br_6311+Gd-1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-146.147918771; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn_cl_6311+Gd-1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-593.205726322; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn_sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-571.060576522; Eh

Results 59551-59560 of 104126 (Search time: 0.037 seconds).