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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-8l-CO-T-U-1_75-C	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-132.48487142; eV
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-8l-CO-B-U-2_00-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-132.27658811; eV
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-8l-CO-B-U-2_00-C	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-132.43650896; eV
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-8l-CO-T-U-2_00-C	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-132.35004301; eV
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-10l-CO-T-U-1_25-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-163.41688670; eV
	12-Mar-2021	/hubbard-correction Cu(100)-2x2-8l-CO-T-U-2_00-O	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-132.17917804; eV
	12-Aug-2021	/redCO2 Cu(111)-3Sn-COOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-226.68570520; eV
	12-Aug-2021	/redCO2 Cu6Sn5(102)-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-339.19277222; eV
	12-Aug-2021	/redCO2 Cu(111)-3Sn-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-203.84547772; eV
	11-Feb-2022	/Pathway_c4c5_cat Int4_k2_OH	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-4796.29107422; Eh

Results 62841-62850 of 104471 (Search time: 0.038 seconds).